USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 872 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 386 THR OG1 : rot 31:sc= 1.01 USER MOD Set 1.2: A 389 LYS NZ :NH3+ -161:sc= -1.01 (180deg=-1.84!) USER MOD Single : A 340 TYR OH : rot 80:sc= -0.794 USER MOD Single : A 342 TYR OH : rot 180:sc= -0.0209 USER MOD Single : A 343 GLN : amide:sc= -0.0885 X(o=-0.088,f=-0.15) USER MOD Single : A 346 SER OG : rot -28:sc= 0.508 USER MOD Single : A 348 SER OG : rot 180:sc= 0.0384 USER MOD Single : A 350 TYR OH : rot 180:sc= 0 USER MOD Single : A 352 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.083) USER MOD Single : A 359 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 SER OG : rot 180:sc= 0 USER MOD Single : A 362 LYS NZ :NH3+ -159:sc= 0.49 (180deg=0.0755) USER MOD Single : A 370 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 378 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 379 HIS : no HD1:sc=-0.00179 X(o=-0.0018,f=0) USER MOD Single : A 380 LYS NZ :NH3+ 143:sc= 0.253 (180deg=-0.403) USER MOD Single : A 381 ASN : amide:sc= -0.791 X(o=-0.79,f=-1) USER MOD Single : A 387 TYR OH : rot -74:sc= -1.48 USER MOD Single : A 390 MET CE :methyl 141:sc= -3.7 (180deg=-5.45!) USER MOD Single : A 391 SER OG : rot -43:sc= 0.395 USER MOD Single : A 396 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-4!) USER MOD Single : A 397 TYR OH : rot 30:sc= -3.32! USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0377) USER MOD Single : A 401 ASN : amide:sc= -1.14 K(o=-1.1,f=0) USER MOD Single : A 405 LYS NZ :NH3+ 160:sc= 0.405 (180deg=0.336) USER MOD Single : A 409 GLN : amide:sc= -0.238 K(o=-0.24,f=-2) USER MOD Single : A 416 MET CE :methyl 157:sc= -0.248 (180deg=-0.904) USER MOD Single : A 417 LYS NZ :NH3+ -153:sc= 1.18 (180deg=-0.11) USER MOD Single : A 418 THR OG1 : rot -73:sc= 1.15 USER MOD Single : A 423 MET CE :methyl 166:sc= -0.0252 (180deg=-0.389) USER MOD Single : A 424 SER OG : rot -31:sc= 0.377 USER MOD Single : A 427 THR OG1 : rot 180:sc= 0.00635 USER MOD Single : A 432 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 436 GLN : amide:sc= -3.14! K(o=-3.1!,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 336 -1.805 7.141 -5.833 1.00 1.08 N ATOM 81 CA LEU A 336 -1.333 6.674 -4.543 1.00 0.60 C ATOM 82 C LEU A 336 -1.539 5.175 -4.376 1.00 0.50 C ATOM 83 O LEU A 336 -2.137 4.512 -5.229 1.00 0.62 O ATOM 84 CB LEU A 336 -2.070 7.398 -3.409 1.00 0.36 C ATOM 85 CG LEU A 336 -2.026 8.931 -3.450 1.00 0.30 C ATOM 86 CD1 LEU A 336 -2.630 9.527 -2.191 1.00 0.25 C ATOM 87 CD2 LEU A 336 -0.613 9.430 -3.613 1.00 0.39 C ATOM 0 HA LEU A 336 -0.266 6.890 -4.497 1.00 0.60 H new ATOM 0 HB2 LEU A 336 -3.114 7.084 -3.422 1.00 0.36 H new ATOM 0 HB3 LEU A 336 -1.649 7.067 -2.459 1.00 0.36 H new ATOM 0 HG LEU A 336 -2.614 9.248 -4.311 1.00 0.30 H new ATOM 0 HD11 LEU A 336 -2.586 10.615 -2.246 1.00 0.25 H new ATOM 0 HD12 LEU A 336 -3.669 9.210 -2.101 1.00 0.25 H new ATOM 0 HD13 LEU A 336 -2.069 9.185 -1.321 1.00 0.25 H new ATOM 0 HD21 LEU A 336 -0.613 10.520 -3.639 1.00 0.39 H new ATOM 0 HD22 LEU A 336 -0.007 9.087 -2.775 1.00 0.39 H new ATOM 0 HD23 LEU A 336 -0.196 9.045 -4.544 1.00 0.39 H new ATOM 99 N LEU A 337 -1.041 4.654 -3.266 1.00 0.39 N ATOM 100 CA LEU A 337 -1.236 3.262 -2.897 1.00 0.30 C ATOM 101 C LEU A 337 -2.713 2.883 -2.898 1.00 0.26 C ATOM 102 O LEU A 337 -3.112 1.939 -3.583 1.00 0.25 O ATOM 103 CB LEU A 337 -0.617 3.015 -1.515 1.00 0.32 C ATOM 104 CG LEU A 337 -1.068 1.751 -0.780 1.00 0.31 C ATOM 105 CD1 LEU A 337 -0.698 0.502 -1.553 1.00 0.24 C ATOM 106 CD2 LEU A 337 -0.451 1.711 0.604 1.00 0.39 C ATOM 0 H LEU A 337 -0.489 5.187 -2.594 1.00 0.39 H new ATOM 0 HA LEU A 337 -0.742 2.633 -3.638 1.00 0.30 H new ATOM 0 HB2 LEU A 337 0.466 2.975 -1.629 1.00 0.32 H new ATOM 0 HB3 LEU A 337 -0.840 3.875 -0.883 1.00 0.32 H new ATOM 0 HG LEU A 337 -2.154 1.780 -0.691 1.00 0.31 H new ATOM 0 HD11 LEU A 337 -1.032 -0.378 -1.004 1.00 0.24 H new ATOM 0 HD12 LEU A 337 -1.179 0.524 -2.531 1.00 0.24 H new ATOM 0 HD13 LEU A 337 0.384 0.460 -1.681 1.00 0.24 H new ATOM 0 HD21 LEU A 337 -0.776 0.809 1.121 1.00 0.39 H new ATOM 0 HD22 LEU A 337 0.636 1.708 0.518 1.00 0.39 H new ATOM 0 HD23 LEU A 337 -0.768 2.588 1.169 1.00 0.39 H new ATOM 118 N TRP A 338 -3.527 3.640 -2.169 1.00 0.25 N ATOM 119 CA TRP A 338 -4.909 3.242 -1.920 1.00 0.24 C ATOM 120 C TRP A 338 -5.761 3.190 -3.190 1.00 0.24 C ATOM 121 O TRP A 338 -6.713 2.417 -3.253 1.00 0.24 O ATOM 122 CB TRP A 338 -5.565 4.118 -0.840 1.00 0.24 C ATOM 123 CG TRP A 338 -5.389 5.597 -1.033 1.00 0.21 C ATOM 124 CD1 TRP A 338 -4.591 6.421 -0.300 1.00 0.20 C ATOM 125 CD2 TRP A 338 -6.028 6.431 -2.006 1.00 0.22 C ATOM 126 NE1 TRP A 338 -4.683 7.703 -0.762 1.00 0.17 N ATOM 127 CE2 TRP A 338 -5.556 7.737 -1.812 1.00 0.19 C ATOM 128 CE3 TRP A 338 -6.946 6.199 -3.025 1.00 0.28 C ATOM 129 CZ2 TRP A 338 -5.966 8.803 -2.602 1.00 0.22 C ATOM 130 CZ3 TRP A 338 -7.352 7.257 -3.806 1.00 0.31 C ATOM 131 CH2 TRP A 338 -6.864 8.547 -3.593 1.00 0.28 C ATOM 0 H TRP A 338 -3.257 4.526 -1.743 1.00 0.25 H new ATOM 0 HA TRP A 338 -4.863 2.220 -1.543 1.00 0.24 H new ATOM 0 HB2 TRP A 338 -6.631 3.895 -0.810 1.00 0.24 H new ATOM 0 HB3 TRP A 338 -5.154 3.841 0.131 1.00 0.24 H new ATOM 0 HD1 TRP A 338 -3.974 6.106 0.528 1.00 0.20 H new ATOM 0 HE1 TRP A 338 -4.181 8.506 -0.384 1.00 0.17 H new ATOM 0 HE3 TRP A 338 -7.333 5.206 -3.200 1.00 0.28 H new ATOM 0 HZ2 TRP A 338 -5.586 9.800 -2.436 1.00 0.22 H new ATOM 0 HZ3 TRP A 338 -8.063 7.085 -4.600 1.00 0.31 H new ATOM 0 HH2 TRP A 338 -7.204 9.355 -4.224 1.00 0.28 H new ATOM 142 N ASP A 339 -5.436 3.981 -4.208 1.00 0.25 N ATOM 143 CA ASP A 339 -6.224 3.939 -5.436 1.00 0.27 C ATOM 144 C ASP A 339 -5.757 2.805 -6.330 1.00 0.26 C ATOM 145 O ASP A 339 -6.547 2.244 -7.089 1.00 0.33 O ATOM 146 CB ASP A 339 -6.228 5.280 -6.190 1.00 0.36 C ATOM 147 CG ASP A 339 -4.887 5.695 -6.747 1.00 1.00 C ATOM 148 OD1 ASP A 339 -4.457 5.125 -7.774 1.00 1.19 O ATOM 149 OD2 ASP A 339 -4.283 6.622 -6.178 1.00 1.80 O ATOM 0 H ASP A 339 -4.657 4.640 -4.211 1.00 0.25 H new ATOM 0 HA ASP A 339 -7.258 3.752 -5.145 1.00 0.27 H new ATOM 0 HB2 ASP A 339 -6.943 5.218 -7.010 1.00 0.36 H new ATOM 0 HB3 ASP A 339 -6.583 6.059 -5.516 1.00 0.36 H new ATOM 154 N TYR A 340 -4.481 2.451 -6.231 1.00 0.22 N ATOM 155 CA TYR A 340 -3.965 1.305 -6.961 1.00 0.20 C ATOM 156 C TYR A 340 -4.550 0.019 -6.389 1.00 0.17 C ATOM 157 O TYR A 340 -5.037 -0.837 -7.125 1.00 0.17 O ATOM 158 CB TYR A 340 -2.437 1.250 -6.903 1.00 0.21 C ATOM 159 CG TYR A 340 -1.868 0.026 -7.576 1.00 0.20 C ATOM 160 CD1 TYR A 340 -1.801 -0.060 -8.959 1.00 0.26 C ATOM 161 CD2 TYR A 340 -1.411 -1.049 -6.826 1.00 0.17 C ATOM 162 CE1 TYR A 340 -1.298 -1.185 -9.578 1.00 0.28 C ATOM 163 CE2 TYR A 340 -0.902 -2.176 -7.439 1.00 0.18 C ATOM 164 CZ TYR A 340 -0.849 -2.238 -8.816 1.00 0.24 C ATOM 165 OH TYR A 340 -0.353 -3.359 -9.435 1.00 0.28 O ATOM 0 H TYR A 340 -3.792 2.937 -5.657 1.00 0.22 H new ATOM 0 HA TYR A 340 -4.261 1.409 -8.005 1.00 0.20 H new ATOM 0 HB2 TYR A 340 -2.028 2.142 -7.377 1.00 0.21 H new ATOM 0 HB3 TYR A 340 -2.117 1.267 -5.861 1.00 0.21 H new ATOM 0 HD1 TYR A 340 -2.148 0.767 -9.560 1.00 0.26 H new ATOM 0 HD2 TYR A 340 -1.454 -1.003 -5.748 1.00 0.17 H new ATOM 0 HE1 TYR A 340 -1.257 -1.239 -10.656 1.00 0.28 H new ATOM 0 HE2 TYR A 340 -0.547 -3.005 -6.844 1.00 0.18 H new ATOM 0 HH TYR A 340 0.572 -3.196 -9.716 1.00 0.28 H new ATOM 175 N VAL A 341 -4.510 -0.102 -5.070 1.00 0.17 N ATOM 176 CA VAL A 341 -5.043 -1.276 -4.394 1.00 0.15 C ATOM 177 C VAL A 341 -6.560 -1.366 -4.575 1.00 0.15 C ATOM 178 O VAL A 341 -7.106 -2.449 -4.784 1.00 0.15 O ATOM 179 CB VAL A 341 -4.669 -1.286 -2.890 1.00 0.16 C ATOM 180 CG1 VAL A 341 -4.990 0.038 -2.232 1.00 0.18 C ATOM 181 CG2 VAL A 341 -5.384 -2.403 -2.158 1.00 0.15 C ATOM 0 H VAL A 341 -4.113 0.600 -4.445 1.00 0.17 H new ATOM 0 HA VAL A 341 -4.588 -2.154 -4.853 1.00 0.15 H new ATOM 0 HB VAL A 341 -3.594 -1.454 -2.829 1.00 0.16 H new ATOM 0 HG11 VAL A 341 -4.715 -0.003 -1.178 1.00 0.18 H new ATOM 0 HG12 VAL A 341 -4.429 0.833 -2.722 1.00 0.18 H new ATOM 0 HG13 VAL A 341 -6.058 0.239 -2.321 1.00 0.18 H new ATOM 0 HG21 VAL A 341 -5.103 -2.386 -1.105 1.00 0.15 H new ATOM 0 HG22 VAL A 341 -6.462 -2.266 -2.248 1.00 0.15 H new ATOM 0 HG23 VAL A 341 -5.103 -3.362 -2.593 1.00 0.15 H new ATOM 191 N TYR A 342 -7.231 -0.225 -4.530 1.00 0.17 N ATOM 192 CA TYR A 342 -8.668 -0.177 -4.775 1.00 0.17 C ATOM 193 C TYR A 342 -8.959 -0.568 -6.227 1.00 0.17 C ATOM 194 O TYR A 342 -9.993 -1.162 -6.531 1.00 0.18 O ATOM 195 CB TYR A 342 -9.221 1.220 -4.465 1.00 0.20 C ATOM 196 CG TYR A 342 -10.731 1.299 -4.458 1.00 0.31 C ATOM 197 CD1 TYR A 342 -11.466 0.891 -3.351 1.00 0.48 C ATOM 198 CD2 TYR A 342 -11.425 1.774 -5.563 1.00 0.44 C ATOM 199 CE1 TYR A 342 -12.844 0.956 -3.345 1.00 0.67 C ATOM 200 CE2 TYR A 342 -12.804 1.840 -5.565 1.00 0.62 C ATOM 201 CZ TYR A 342 -13.508 1.427 -4.454 1.00 0.71 C ATOM 202 OH TYR A 342 -14.884 1.489 -4.453 1.00 0.92 O ATOM 0 H TYR A 342 -6.806 0.680 -4.327 1.00 0.17 H new ATOM 0 HA TYR A 342 -9.165 -0.888 -4.115 1.00 0.17 H new ATOM 0 HB2 TYR A 342 -8.847 1.540 -3.492 1.00 0.20 H new ATOM 0 HB3 TYR A 342 -8.835 1.924 -5.202 1.00 0.20 H new ATOM 0 HD1 TYR A 342 -10.949 0.516 -2.480 1.00 0.48 H new ATOM 0 HD2 TYR A 342 -10.877 2.097 -6.436 1.00 0.44 H new ATOM 0 HE1 TYR A 342 -13.399 0.639 -2.474 1.00 0.67 H new ATOM 0 HE2 TYR A 342 -13.328 2.213 -6.432 1.00 0.62 H new ATOM 0 HH TYR A 342 -15.196 1.845 -5.311 1.00 0.92 H new ATOM 212 N GLN A 343 -8.029 -0.234 -7.119 1.00 0.18 N ATOM 213 CA GLN A 343 -8.124 -0.634 -8.518 1.00 0.19 C ATOM 214 C GLN A 343 -7.915 -2.143 -8.650 1.00 0.18 C ATOM 215 O GLN A 343 -8.519 -2.789 -9.505 1.00 0.23 O ATOM 216 CB GLN A 343 -7.095 0.126 -9.361 1.00 0.26 C ATOM 217 CG GLN A 343 -7.158 -0.181 -10.850 1.00 0.71 C ATOM 218 CD GLN A 343 -8.511 0.137 -11.463 1.00 1.41 C ATOM 219 OE1 GLN A 343 -8.757 1.258 -11.908 1.00 2.07 O ATOM 220 NE2 GLN A 343 -9.387 -0.852 -11.507 1.00 2.22 N ATOM 0 H GLN A 343 -7.199 0.315 -6.895 1.00 0.18 H new ATOM 0 HA GLN A 343 -9.120 -0.387 -8.886 1.00 0.19 H new ATOM 0 HB2 GLN A 343 -7.242 1.196 -9.216 1.00 0.26 H new ATOM 0 HB3 GLN A 343 -6.096 -0.111 -8.995 1.00 0.26 H new ATOM 0 HG2 GLN A 343 -6.387 0.391 -11.367 1.00 0.71 H new ATOM 0 HG3 GLN A 343 -6.932 -1.236 -11.008 1.00 0.71 H new ATOM 0 HE21 GLN A 343 -9.143 -1.767 -11.127 1.00 2.22 H new ATOM 0 HE22 GLN A 343 -10.307 -0.701 -11.921 1.00 2.22 H new ATOM 229 N LEU A 344 -7.078 -2.704 -7.779 1.00 0.16 N ATOM 230 CA LEU A 344 -6.854 -4.138 -7.754 1.00 0.15 C ATOM 231 C LEU A 344 -8.107 -4.835 -7.262 1.00 0.17 C ATOM 232 O LEU A 344 -8.373 -5.975 -7.603 1.00 0.24 O ATOM 233 CB LEU A 344 -5.682 -4.503 -6.840 1.00 0.15 C ATOM 234 CG LEU A 344 -4.311 -3.983 -7.267 1.00 0.12 C ATOM 235 CD1 LEU A 344 -3.266 -4.396 -6.250 1.00 0.13 C ATOM 236 CD2 LEU A 344 -3.941 -4.508 -8.642 1.00 0.19 C ATOM 0 H LEU A 344 -6.546 -2.182 -7.083 1.00 0.16 H new ATOM 0 HA LEU A 344 -6.613 -4.462 -8.766 1.00 0.15 H new ATOM 0 HB2 LEU A 344 -5.896 -4.126 -5.840 1.00 0.15 H new ATOM 0 HB3 LEU A 344 -5.629 -5.589 -6.766 1.00 0.15 H new ATOM 0 HG LEU A 344 -4.351 -2.895 -7.318 1.00 0.12 H new ATOM 0 HD11 LEU A 344 -2.290 -4.023 -6.559 1.00 0.13 H new ATOM 0 HD12 LEU A 344 -3.522 -3.979 -5.276 1.00 0.13 H new ATOM 0 HD13 LEU A 344 -3.234 -5.483 -6.183 1.00 0.13 H new ATOM 0 HD21 LEU A 344 -2.961 -4.125 -8.926 1.00 0.19 H new ATOM 0 HD22 LEU A 344 -3.912 -5.597 -8.620 1.00 0.19 H new ATOM 0 HD23 LEU A 344 -4.684 -4.179 -9.369 1.00 0.19 H new ATOM 248 N LEU A 345 -8.871 -4.137 -6.454 1.00 0.18 N ATOM 249 CA LEU A 345 -10.107 -4.676 -5.932 1.00 0.20 C ATOM 250 C LEU A 345 -11.198 -4.697 -7.004 1.00 0.25 C ATOM 251 O LEU A 345 -12.195 -5.402 -6.874 1.00 0.36 O ATOM 252 CB LEU A 345 -10.553 -3.858 -4.727 1.00 0.17 C ATOM 253 CG LEU A 345 -9.616 -3.940 -3.528 1.00 0.15 C ATOM 254 CD1 LEU A 345 -9.971 -2.889 -2.493 1.00 0.16 C ATOM 255 CD2 LEU A 345 -9.661 -5.332 -2.915 1.00 0.15 C ATOM 0 H LEU A 345 -8.657 -3.190 -6.142 1.00 0.18 H new ATOM 0 HA LEU A 345 -9.933 -5.706 -5.621 1.00 0.20 H new ATOM 0 HB2 LEU A 345 -10.649 -2.814 -5.027 1.00 0.17 H new ATOM 0 HB3 LEU A 345 -11.544 -4.194 -4.422 1.00 0.17 H new ATOM 0 HG LEU A 345 -8.600 -3.745 -3.873 1.00 0.15 H new ATOM 0 HD11 LEU A 345 -9.289 -2.967 -1.647 1.00 0.16 H new ATOM 0 HD12 LEU A 345 -9.886 -1.897 -2.937 1.00 0.16 H new ATOM 0 HD13 LEU A 345 -10.994 -3.047 -2.150 1.00 0.16 H new ATOM 0 HD21 LEU A 345 -8.987 -5.375 -2.060 1.00 0.15 H new ATOM 0 HD22 LEU A 345 -10.677 -5.553 -2.587 1.00 0.15 H new ATOM 0 HD23 LEU A 345 -9.352 -6.067 -3.658 1.00 0.15 H new ATOM 267 N SER A 346 -10.993 -3.931 -8.067 1.00 0.28 N ATOM 268 CA SER A 346 -11.963 -3.840 -9.151 1.00 0.35 C ATOM 269 C SER A 346 -11.656 -4.870 -10.239 1.00 0.36 C ATOM 270 O SER A 346 -12.387 -4.994 -11.221 1.00 0.54 O ATOM 271 CB SER A 346 -11.944 -2.425 -9.733 1.00 0.46 C ATOM 272 OG SER A 346 -12.849 -2.289 -10.815 1.00 1.06 O ATOM 0 H SER A 346 -10.159 -3.360 -8.202 1.00 0.28 H new ATOM 0 HA SER A 346 -12.957 -4.054 -8.757 1.00 0.35 H new ATOM 0 HB2 SER A 346 -12.199 -1.708 -8.953 1.00 0.46 H new ATOM 0 HB3 SER A 346 -10.936 -2.184 -10.070 1.00 0.46 H new ATOM 0 HG SER A 346 -12.967 -3.157 -11.254 1.00 1.06 H new ATOM 278 N ASP A 347 -10.575 -5.607 -10.048 1.00 0.32 N ATOM 279 CA ASP A 347 -10.099 -6.563 -11.026 1.00 0.34 C ATOM 280 C ASP A 347 -10.047 -7.964 -10.396 1.00 0.34 C ATOM 281 O ASP A 347 -9.779 -8.097 -9.208 1.00 0.43 O ATOM 282 CB ASP A 347 -8.720 -6.090 -11.500 1.00 0.41 C ATOM 283 CG ASP A 347 -8.791 -5.164 -12.694 1.00 0.80 C ATOM 284 OD1 ASP A 347 -9.127 -5.639 -13.797 1.00 0.99 O ATOM 285 OD2 ASP A 347 -8.527 -3.956 -12.530 1.00 1.18 O ATOM 0 H ASP A 347 -10.002 -5.557 -9.206 1.00 0.32 H new ATOM 0 HA ASP A 347 -10.768 -6.626 -11.884 1.00 0.34 H new ATOM 0 HB2 ASP A 347 -8.216 -5.579 -10.680 1.00 0.41 H new ATOM 0 HB3 ASP A 347 -8.112 -6.958 -11.756 1.00 0.41 H new ATOM 290 N SER A 348 -10.413 -8.999 -11.152 1.00 0.40 N ATOM 291 CA SER A 348 -10.403 -10.371 -10.638 1.00 0.43 C ATOM 292 C SER A 348 -9.067 -11.113 -10.715 1.00 0.35 C ATOM 293 O SER A 348 -8.816 -11.981 -9.888 1.00 0.40 O ATOM 294 CB SER A 348 -11.525 -11.174 -11.286 1.00 0.59 C ATOM 295 OG SER A 348 -11.630 -10.883 -12.668 1.00 0.79 O ATOM 0 H SER A 348 -10.720 -8.915 -12.121 1.00 0.40 H new ATOM 0 HA SER A 348 -10.572 -10.273 -9.566 1.00 0.43 H new ATOM 0 HB2 SER A 348 -11.340 -12.239 -11.149 1.00 0.59 H new ATOM 0 HB3 SER A 348 -12.470 -10.949 -10.791 1.00 0.59 H new ATOM 0 HG SER A 348 -12.356 -11.412 -13.060 1.00 0.79 H new ATOM 301 N ARG A 349 -8.209 -10.781 -11.675 1.00 0.34 N ATOM 302 CA ARG A 349 -7.000 -11.512 -11.919 1.00 0.37 C ATOM 303 C ARG A 349 -6.187 -11.814 -10.656 1.00 0.31 C ATOM 304 O ARG A 349 -5.907 -12.971 -10.353 1.00 0.42 O ATOM 305 CB ARG A 349 -6.166 -10.718 -12.903 1.00 0.45 C ATOM 306 CG ARG A 349 -5.747 -9.299 -12.513 1.00 0.71 C ATOM 307 CD ARG A 349 -6.833 -8.382 -11.955 1.00 1.07 C ATOM 308 NE ARG A 349 -7.183 -8.676 -10.546 1.00 1.86 N ATOM 309 CZ ARG A 349 -7.025 -7.854 -9.490 1.00 2.54 C ATOM 310 NH1 ARG A 349 -6.633 -6.594 -9.652 1.00 2.75 N ATOM 311 NH2 ARG A 349 -7.292 -8.303 -8.265 1.00 3.43 N ATOM 0 H ARG A 349 -8.347 -9.989 -12.303 1.00 0.34 H new ATOM 0 HA ARG A 349 -7.277 -12.487 -12.321 1.00 0.37 H new ATOM 0 HB2 ARG A 349 -5.260 -11.288 -13.109 1.00 0.45 H new ATOM 0 HB3 ARG A 349 -6.723 -10.656 -13.838 1.00 0.45 H new ATOM 0 HG2 ARG A 349 -4.952 -9.373 -11.771 1.00 0.71 H new ATOM 0 HG3 ARG A 349 -5.318 -8.819 -13.393 1.00 0.71 H new ATOM 0 HD2 ARG A 349 -6.499 -7.347 -12.030 1.00 1.07 H new ATOM 0 HD3 ARG A 349 -7.728 -8.474 -12.571 1.00 1.07 H new ATOM 0 HE ARG A 349 -7.584 -9.594 -10.356 1.00 1.86 H new ATOM 0 HH11 ARG A 349 -6.446 -6.234 -10.588 1.00 2.75 H new ATOM 0 HH12 ARG A 349 -6.519 -5.987 -8.840 1.00 2.75 H new ATOM 0 HH21 ARG A 349 -7.613 -9.262 -8.132 1.00 3.43 H new ATOM 0 HH22 ARG A 349 -7.175 -7.688 -7.460 1.00 3.43 H new ATOM 325 N TYR A 350 -5.828 -10.772 -9.928 1.00 0.26 N ATOM 326 CA TYR A 350 -5.002 -10.893 -8.751 1.00 0.30 C ATOM 327 C TYR A 350 -5.836 -11.231 -7.516 1.00 0.24 C ATOM 328 O TYR A 350 -5.471 -10.826 -6.423 1.00 0.25 O ATOM 329 CB TYR A 350 -4.249 -9.587 -8.442 1.00 0.40 C ATOM 330 CG TYR A 350 -3.612 -8.897 -9.621 1.00 0.47 C ATOM 331 CD1 TYR A 350 -2.409 -9.320 -10.133 1.00 0.54 C ATOM 332 CD2 TYR A 350 -4.219 -7.800 -10.210 1.00 0.52 C ATOM 333 CE1 TYR A 350 -1.835 -8.672 -11.200 1.00 0.61 C ATOM 334 CE2 TYR A 350 -3.660 -7.144 -11.268 1.00 0.60 C ATOM 335 CZ TYR A 350 -2.460 -7.583 -11.770 1.00 0.63 C ATOM 336 OH TYR A 350 -1.877 -6.930 -12.833 1.00 0.72 O ATOM 0 H TYR A 350 -6.106 -9.814 -10.142 1.00 0.26 H new ATOM 0 HA TYR A 350 -4.295 -11.693 -8.968 1.00 0.30 H new ATOM 0 HB2 TYR A 350 -4.945 -8.892 -7.972 1.00 0.40 H new ATOM 0 HB3 TYR A 350 -3.471 -9.804 -7.709 1.00 0.40 H new ATOM 0 HD1 TYR A 350 -1.910 -10.170 -9.692 1.00 0.54 H new ATOM 0 HD2 TYR A 350 -5.164 -7.453 -9.820 1.00 0.52 H new ATOM 0 HE1 TYR A 350 -0.890 -9.017 -11.594 1.00 0.61 H new ATOM 0 HE2 TYR A 350 -4.156 -6.290 -11.705 1.00 0.60 H new ATOM 0 HH TYR A 350 -2.450 -6.186 -13.114 1.00 0.72 H new ATOM 346 N GLU A 351 -6.988 -11.886 -7.670 1.00 0.22 N ATOM 347 CA GLU A 351 -7.804 -12.226 -6.498 1.00 0.23 C ATOM 348 C GLU A 351 -7.006 -13.054 -5.481 1.00 0.21 C ATOM 349 O GLU A 351 -7.315 -13.056 -4.291 1.00 0.25 O ATOM 350 CB GLU A 351 -9.079 -12.981 -6.885 1.00 0.31 C ATOM 351 CG GLU A 351 -8.841 -14.392 -7.385 1.00 0.36 C ATOM 352 CD GLU A 351 -10.066 -15.268 -7.232 1.00 0.97 C ATOM 353 OE1 GLU A 351 -10.996 -15.139 -8.059 1.00 1.22 O ATOM 354 OE2 GLU A 351 -10.102 -16.092 -6.299 1.00 1.45 O ATOM 0 H GLU A 351 -7.371 -12.186 -8.567 1.00 0.22 H new ATOM 0 HA GLU A 351 -8.091 -11.280 -6.039 1.00 0.23 H new ATOM 0 HB2 GLU A 351 -9.740 -13.021 -6.019 1.00 0.31 H new ATOM 0 HB3 GLU A 351 -9.601 -12.417 -7.658 1.00 0.31 H new ATOM 0 HG2 GLU A 351 -8.549 -14.359 -8.435 1.00 0.36 H new ATOM 0 HG3 GLU A 351 -8.009 -14.834 -6.836 1.00 0.36 H new ATOM 361 N ASN A 352 -5.969 -13.742 -5.953 1.00 0.22 N ATOM 362 CA ASN A 352 -5.105 -14.528 -5.082 1.00 0.24 C ATOM 363 C ASN A 352 -4.044 -13.624 -4.450 1.00 0.19 C ATOM 364 O ASN A 352 -3.206 -14.070 -3.668 1.00 0.21 O ATOM 365 CB ASN A 352 -4.435 -15.653 -5.871 1.00 0.32 C ATOM 366 CG ASN A 352 -3.858 -16.731 -4.979 1.00 0.62 C ATOM 367 OD1 ASN A 352 -2.778 -17.259 -5.244 1.00 1.06 O ATOM 368 ND2 ASN A 352 -4.586 -17.094 -3.936 1.00 1.06 N ATOM 0 H ASN A 352 -5.708 -13.770 -6.939 1.00 0.22 H new ATOM 0 HA ASN A 352 -5.711 -14.972 -4.293 1.00 0.24 H new ATOM 0 HB2 ASN A 352 -5.163 -16.099 -6.548 1.00 0.32 H new ATOM 0 HB3 ASN A 352 -3.640 -15.234 -6.488 1.00 0.32 H new ATOM 0 HD21 ASN A 352 -4.257 -17.836 -3.318 1.00 1.06 H new ATOM 0 HD22 ASN A 352 -5.476 -16.632 -3.750 1.00 1.06 H new ATOM 375 N PHE A 353 -4.081 -12.354 -4.828 1.00 0.16 N ATOM 376 CA PHE A 353 -3.247 -11.324 -4.225 1.00 0.14 C ATOM 377 C PHE A 353 -4.108 -10.447 -3.324 1.00 0.12 C ATOM 378 O PHE A 353 -3.709 -10.092 -2.218 1.00 0.11 O ATOM 379 CB PHE A 353 -2.594 -10.437 -5.292 1.00 0.16 C ATOM 380 CG PHE A 353 -1.598 -11.123 -6.186 1.00 0.19 C ATOM 381 CD1 PHE A 353 -1.965 -12.193 -6.985 1.00 0.30 C ATOM 382 CD2 PHE A 353 -0.293 -10.672 -6.243 1.00 0.21 C ATOM 383 CE1 PHE A 353 -1.048 -12.801 -7.819 1.00 0.34 C ATOM 384 CE2 PHE A 353 0.629 -11.270 -7.076 1.00 0.25 C ATOM 385 CZ PHE A 353 0.252 -12.339 -7.865 1.00 0.29 C ATOM 0 H PHE A 353 -4.694 -12.007 -5.566 1.00 0.16 H new ATOM 0 HA PHE A 353 -2.461 -11.817 -3.653 1.00 0.14 H new ATOM 0 HB2 PHE A 353 -3.380 -10.010 -5.914 1.00 0.16 H new ATOM 0 HB3 PHE A 353 -2.095 -9.606 -4.793 1.00 0.16 H new ATOM 0 HD1 PHE A 353 -2.982 -12.556 -6.955 1.00 0.30 H new ATOM 0 HD2 PHE A 353 0.009 -9.839 -5.626 1.00 0.21 H new ATOM 0 HE1 PHE A 353 -1.347 -13.637 -8.434 1.00 0.34 H new ATOM 0 HE2 PHE A 353 1.644 -10.903 -7.111 1.00 0.25 H new ATOM 0 HZ PHE A 353 0.972 -12.812 -8.516 1.00 0.29 H new ATOM 395 N ILE A 354 -5.289 -10.087 -3.824 1.00 0.11 N ATOM 396 CA ILE A 354 -6.227 -9.257 -3.084 1.00 0.11 C ATOM 397 C ILE A 354 -7.653 -9.448 -3.601 1.00 0.12 C ATOM 398 O ILE A 354 -7.867 -9.607 -4.806 1.00 0.16 O ATOM 399 CB ILE A 354 -5.846 -7.770 -3.170 1.00 0.11 C ATOM 400 CG1 ILE A 354 -6.636 -6.981 -2.136 1.00 0.12 C ATOM 401 CG2 ILE A 354 -6.092 -7.214 -4.573 1.00 0.13 C ATOM 402 CD1 ILE A 354 -6.149 -5.572 -1.955 1.00 0.12 C ATOM 0 H ILE A 354 -5.618 -10.363 -4.749 1.00 0.11 H new ATOM 0 HA ILE A 354 -6.181 -9.571 -2.041 1.00 0.11 H new ATOM 0 HB ILE A 354 -4.781 -7.672 -2.961 1.00 0.11 H new ATOM 0 HG12 ILE A 354 -7.685 -6.959 -2.432 1.00 0.12 H new ATOM 0 HG13 ILE A 354 -6.585 -7.500 -1.179 1.00 0.12 H new ATOM 0 HG21 ILE A 354 -5.813 -6.161 -4.601 1.00 0.13 H new ATOM 0 HG22 ILE A 354 -5.491 -7.768 -5.294 1.00 0.13 H new ATOM 0 HG23 ILE A 354 -7.147 -7.316 -4.825 1.00 0.13 H new ATOM 0 HD11 ILE A 354 -6.758 -5.070 -1.203 1.00 0.12 H new ATOM 0 HD12 ILE A 354 -5.109 -5.586 -1.629 1.00 0.12 H new ATOM 0 HD13 ILE A 354 -6.226 -5.036 -2.901 1.00 0.12 H new ATOM 414 N ARG A 355 -8.623 -9.463 -2.692 1.00 0.12 N ATOM 415 CA ARG A 355 -10.020 -9.562 -3.085 1.00 0.14 C ATOM 416 C ARG A 355 -10.946 -9.001 -2.009 1.00 0.14 C ATOM 417 O ARG A 355 -10.605 -8.974 -0.824 1.00 0.15 O ATOM 418 CB ARG A 355 -10.379 -11.011 -3.418 1.00 0.18 C ATOM 419 CG ARG A 355 -10.205 -11.986 -2.270 1.00 0.24 C ATOM 420 CD ARG A 355 -10.068 -13.402 -2.802 1.00 0.40 C ATOM 421 NE ARG A 355 -10.006 -14.403 -1.742 1.00 0.90 N ATOM 422 CZ ARG A 355 -10.576 -15.606 -1.835 1.00 1.53 C ATOM 423 NH1 ARG A 355 -11.263 -15.932 -2.921 1.00 1.59 N ATOM 424 NH2 ARG A 355 -10.454 -16.484 -0.848 1.00 2.39 N ATOM 0 H ARG A 355 -8.467 -9.408 -1.686 1.00 0.12 H new ATOM 0 HA ARG A 355 -10.161 -8.957 -3.981 1.00 0.14 H new ATOM 0 HB2 ARG A 355 -11.416 -11.046 -3.753 1.00 0.18 H new ATOM 0 HB3 ARG A 355 -9.762 -11.341 -4.254 1.00 0.18 H new ATOM 0 HG2 ARG A 355 -9.322 -11.721 -1.689 1.00 0.24 H new ATOM 0 HG3 ARG A 355 -11.060 -11.923 -1.597 1.00 0.24 H new ATOM 0 HD2 ARG A 355 -10.913 -13.623 -3.455 1.00 0.40 H new ATOM 0 HD3 ARG A 355 -9.167 -13.470 -3.412 1.00 0.40 H new ATOM 0 HE ARG A 355 -9.501 -14.171 -0.886 1.00 0.90 H new ATOM 0 HH11 ARG A 355 -11.356 -15.263 -3.686 1.00 1.59 H new ATOM 0 HH12 ARG A 355 -11.699 -16.852 -2.992 1.00 1.59 H new ATOM 0 HH21 ARG A 355 -9.922 -16.241 -0.012 1.00 2.39 H new ATOM 0 HH22 ARG A 355 -10.892 -17.402 -0.925 1.00 2.39 H new ATOM 438 N TRP A 356 -12.107 -8.530 -2.448 1.00 0.15 N ATOM 439 CA TRP A 356 -13.141 -8.011 -1.558 1.00 0.16 C ATOM 440 C TRP A 356 -13.736 -9.096 -0.671 1.00 0.18 C ATOM 441 O TRP A 356 -14.026 -10.196 -1.136 1.00 0.25 O ATOM 442 CB TRP A 356 -14.279 -7.405 -2.374 1.00 0.18 C ATOM 443 CG TRP A 356 -13.983 -6.054 -2.932 1.00 0.18 C ATOM 444 CD1 TRP A 356 -13.844 -5.715 -4.245 1.00 0.21 C ATOM 445 CD2 TRP A 356 -13.801 -4.854 -2.186 1.00 0.16 C ATOM 446 NE1 TRP A 356 -13.594 -4.370 -4.354 1.00 0.22 N ATOM 447 CE2 TRP A 356 -13.565 -3.824 -3.102 1.00 0.19 C ATOM 448 CE3 TRP A 356 -13.818 -4.550 -0.830 1.00 0.15 C ATOM 449 CZ2 TRP A 356 -13.351 -2.515 -2.703 1.00 0.21 C ATOM 450 CZ3 TRP A 356 -13.602 -3.251 -0.435 1.00 0.17 C ATOM 451 CH2 TRP A 356 -13.372 -2.244 -1.369 1.00 0.20 C ATOM 0 H TRP A 356 -12.360 -8.497 -3.436 1.00 0.15 H new ATOM 0 HA TRP A 356 -12.662 -7.260 -0.929 1.00 0.16 H new ATOM 0 HB2 TRP A 356 -14.520 -8.079 -3.195 1.00 0.18 H new ATOM 0 HB3 TRP A 356 -15.166 -7.339 -1.745 1.00 0.18 H new ATOM 0 HD1 TRP A 356 -13.919 -6.402 -5.075 1.00 0.21 H new ATOM 0 HE1 TRP A 356 -13.453 -3.861 -5.227 1.00 0.22 H new ATOM 0 HE3 TRP A 356 -13.998 -5.323 -0.097 1.00 0.15 H new ATOM 0 HZ2 TRP A 356 -13.173 -1.734 -3.427 1.00 0.21 H new ATOM 0 HZ3 TRP A 356 -13.611 -3.007 0.617 1.00 0.17 H new ATOM 0 HH2 TRP A 356 -13.208 -1.232 -1.030 1.00 0.20 H new ATOM 462 N GLU A 357 -13.928 -8.761 0.599 1.00 0.18 N ATOM 463 CA GLU A 357 -14.691 -9.595 1.515 1.00 0.22 C ATOM 464 C GLU A 357 -16.087 -9.012 1.668 1.00 0.22 C ATOM 465 O GLU A 357 -17.092 -9.719 1.582 1.00 0.31 O ATOM 466 CB GLU A 357 -14.003 -9.667 2.874 1.00 0.25 C ATOM 467 CG GLU A 357 -12.733 -10.488 2.860 1.00 0.52 C ATOM 468 CD GLU A 357 -12.972 -11.916 2.413 1.00 0.45 C ATOM 469 OE1 GLU A 357 -13.320 -12.760 3.263 1.00 0.73 O ATOM 470 OE2 GLU A 357 -12.816 -12.202 1.209 1.00 0.79 O ATOM 0 H GLU A 357 -13.561 -7.908 1.020 1.00 0.18 H new ATOM 0 HA GLU A 357 -14.755 -10.606 1.112 1.00 0.22 H new ATOM 0 HB2 GLU A 357 -13.770 -8.656 3.209 1.00 0.25 H new ATOM 0 HB3 GLU A 357 -14.694 -10.093 3.601 1.00 0.25 H new ATOM 0 HG2 GLU A 357 -12.008 -10.019 2.195 1.00 0.52 H new ATOM 0 HG3 GLU A 357 -12.295 -10.491 3.858 1.00 0.52 H new ATOM 477 N ASP A 358 -16.128 -7.705 1.882 1.00 0.19 N ATOM 478 CA ASP A 358 -17.372 -6.954 1.966 1.00 0.22 C ATOM 479 C ASP A 358 -17.228 -5.669 1.162 1.00 0.20 C ATOM 480 O ASP A 358 -16.898 -4.627 1.717 1.00 0.22 O ATOM 481 CB ASP A 358 -17.706 -6.596 3.423 1.00 0.28 C ATOM 482 CG ASP A 358 -17.895 -7.801 4.320 1.00 1.02 C ATOM 483 OD1 ASP A 358 -19.027 -8.324 4.394 1.00 1.30 O ATOM 484 OD2 ASP A 358 -16.906 -8.248 4.938 1.00 2.07 O ATOM 0 H ASP A 358 -15.293 -7.132 2.003 1.00 0.19 H new ATOM 0 HA ASP A 358 -18.177 -7.571 1.568 1.00 0.22 H new ATOM 0 HB2 ASP A 358 -16.906 -5.975 3.827 1.00 0.28 H new ATOM 0 HB3 ASP A 358 -18.615 -5.995 3.441 1.00 0.28 H new ATOM 489 N LYS A 359 -17.460 -5.745 -0.144 1.00 0.23 N ATOM 490 CA LYS A 359 -17.227 -4.608 -1.034 1.00 0.26 C ATOM 491 C LYS A 359 -18.067 -3.393 -0.645 1.00 0.28 C ATOM 492 O LYS A 359 -17.580 -2.261 -0.670 1.00 0.33 O ATOM 493 CB LYS A 359 -17.497 -4.995 -2.487 1.00 0.35 C ATOM 494 CG LYS A 359 -17.224 -3.867 -3.473 1.00 0.41 C ATOM 495 CD LYS A 359 -17.089 -4.380 -4.895 1.00 0.60 C ATOM 496 CE LYS A 359 -16.817 -3.245 -5.867 1.00 0.96 C ATOM 497 NZ LYS A 359 -16.615 -3.731 -7.256 1.00 1.65 N ATOM 0 H LYS A 359 -17.809 -6.581 -0.612 1.00 0.23 H new ATOM 0 HA LYS A 359 -16.178 -4.330 -0.930 1.00 0.26 H new ATOM 0 HB2 LYS A 359 -16.878 -5.854 -2.748 1.00 0.35 H new ATOM 0 HB3 LYS A 359 -18.536 -5.310 -2.585 1.00 0.35 H new ATOM 0 HG2 LYS A 359 -18.034 -3.139 -3.425 1.00 0.41 H new ATOM 0 HG3 LYS A 359 -16.310 -3.347 -3.186 1.00 0.41 H new ATOM 0 HD2 LYS A 359 -16.279 -5.108 -4.946 1.00 0.60 H new ATOM 0 HD3 LYS A 359 -18.003 -4.899 -5.185 1.00 0.60 H new ATOM 0 HE2 LYS A 359 -17.652 -2.544 -5.847 1.00 0.96 H new ATOM 0 HE3 LYS A 359 -15.932 -2.696 -5.544 1.00 0.96 H new ATOM 0 HZ1 LYS A 359 -16.433 -2.922 -7.884 1.00 1.65 H new ATOM 0 HZ2 LYS A 359 -15.802 -4.380 -7.282 1.00 1.65 H new ATOM 0 HZ3 LYS A 359 -17.468 -4.232 -7.576 1.00 1.65 H new ATOM 511 N GLU A 360 -19.316 -3.623 -0.271 1.00 0.32 N ATOM 512 CA GLU A 360 -20.215 -2.531 0.077 1.00 0.36 C ATOM 513 C GLU A 360 -19.846 -1.921 1.427 1.00 0.34 C ATOM 514 O GLU A 360 -20.102 -0.745 1.679 1.00 0.42 O ATOM 515 CB GLU A 360 -21.654 -3.004 0.080 1.00 0.45 C ATOM 516 CG GLU A 360 -22.026 -3.749 -1.186 1.00 0.94 C ATOM 517 CD GLU A 360 -23.505 -4.048 -1.284 1.00 1.10 C ATOM 518 OE1 GLU A 360 -23.952 -5.061 -0.706 1.00 1.40 O ATOM 519 OE2 GLU A 360 -24.224 -3.277 -1.949 1.00 1.33 O ATOM 0 H GLU A 360 -19.730 -4.552 -0.200 1.00 0.32 H new ATOM 0 HA GLU A 360 -20.108 -1.755 -0.681 1.00 0.36 H new ATOM 0 HB2 GLU A 360 -21.817 -3.653 0.940 1.00 0.45 H new ATOM 0 HB3 GLU A 360 -22.314 -2.145 0.199 1.00 0.45 H new ATOM 0 HG2 GLU A 360 -21.722 -3.159 -2.051 1.00 0.94 H new ATOM 0 HG3 GLU A 360 -21.468 -4.685 -1.227 1.00 0.94 H new ATOM 526 N SER A 361 -19.253 -2.728 2.293 1.00 0.28 N ATOM 527 CA SER A 361 -18.738 -2.239 3.562 1.00 0.27 C ATOM 528 C SER A 361 -17.331 -1.666 3.393 1.00 0.23 C ATOM 529 O SER A 361 -16.840 -0.933 4.253 1.00 0.25 O ATOM 530 CB SER A 361 -18.726 -3.375 4.586 1.00 0.29 C ATOM 531 OG SER A 361 -20.046 -3.758 4.937 1.00 1.10 O ATOM 0 H SER A 361 -19.116 -3.727 2.139 1.00 0.28 H new ATOM 0 HA SER A 361 -19.389 -1.440 3.918 1.00 0.27 H new ATOM 0 HB2 SER A 361 -18.192 -4.232 4.177 1.00 0.29 H new ATOM 0 HB3 SER A 361 -18.186 -3.059 5.478 1.00 0.29 H new ATOM 0 HG SER A 361 -20.012 -4.487 5.591 1.00 1.10 H new ATOM 537 N LYS A 362 -16.716 -1.987 2.250 1.00 0.20 N ATOM 538 CA LYS A 362 -15.342 -1.593 1.926 1.00 0.19 C ATOM 539 C LYS A 362 -14.323 -2.392 2.738 1.00 0.15 C ATOM 540 O LYS A 362 -13.202 -1.940 2.969 1.00 0.16 O ATOM 541 CB LYS A 362 -15.131 -0.093 2.117 1.00 0.24 C ATOM 542 CG LYS A 362 -15.963 0.734 1.163 1.00 0.33 C ATOM 543 CD LYS A 362 -15.553 0.464 -0.273 1.00 0.46 C ATOM 544 CE LYS A 362 -16.441 1.174 -1.275 1.00 1.22 C ATOM 545 NZ LYS A 362 -17.852 0.718 -1.198 1.00 1.83 N ATOM 0 H LYS A 362 -17.164 -2.534 1.515 1.00 0.20 H new ATOM 0 HA LYS A 362 -15.183 -1.822 0.872 1.00 0.19 H new ATOM 0 HB2 LYS A 362 -15.382 0.178 3.142 1.00 0.24 H new ATOM 0 HB3 LYS A 362 -14.077 0.144 1.974 1.00 0.24 H new ATOM 0 HG2 LYS A 362 -17.019 0.500 1.296 1.00 0.33 H new ATOM 0 HG3 LYS A 362 -15.841 1.793 1.389 1.00 0.33 H new ATOM 0 HD2 LYS A 362 -14.521 0.782 -0.418 1.00 0.46 H new ATOM 0 HD3 LYS A 362 -15.585 -0.609 -0.461 1.00 0.46 H new ATOM 0 HE2 LYS A 362 -16.398 2.249 -1.098 1.00 1.22 H new ATOM 0 HE3 LYS A 362 -16.060 1.002 -2.282 1.00 1.22 H new ATOM 0 HZ1 LYS A 362 -18.338 0.940 -2.091 1.00 1.83 H new ATOM 0 HZ2 LYS A 362 -17.877 -0.309 -1.036 1.00 1.83 H new ATOM 0 HZ3 LYS A 362 -18.331 1.204 -0.413 1.00 1.83 H new ATOM 559 N ILE A 363 -14.720 -3.590 3.150 1.00 0.14 N ATOM 560 CA ILE A 363 -13.830 -4.496 3.872 1.00 0.13 C ATOM 561 C ILE A 363 -13.158 -5.413 2.851 1.00 0.11 C ATOM 562 O ILE A 363 -13.826 -6.208 2.183 1.00 0.14 O ATOM 563 CB ILE A 363 -14.581 -5.361 4.936 1.00 0.15 C ATOM 564 CG1 ILE A 363 -15.089 -4.541 6.141 1.00 0.19 C ATOM 565 CG2 ILE A 363 -13.663 -6.462 5.454 1.00 0.17 C ATOM 566 CD1 ILE A 363 -15.723 -3.217 5.815 1.00 0.19 C ATOM 0 H ILE A 363 -15.658 -3.960 2.996 1.00 0.14 H new ATOM 0 HA ILE A 363 -13.099 -3.896 4.414 1.00 0.13 H new ATOM 0 HB ILE A 363 -15.450 -5.779 4.428 1.00 0.15 H new ATOM 0 HG12 ILE A 363 -15.814 -5.145 6.686 1.00 0.19 H new ATOM 0 HG13 ILE A 363 -14.251 -4.364 6.815 1.00 0.19 H new ATOM 0 HG21 ILE A 363 -14.194 -7.060 6.195 1.00 0.17 H new ATOM 0 HG22 ILE A 363 -13.356 -7.100 4.625 1.00 0.17 H new ATOM 0 HG23 ILE A 363 -12.781 -6.015 5.913 1.00 0.17 H new ATOM 0 HD11 ILE A 363 -16.042 -2.730 6.736 1.00 0.19 H new ATOM 0 HD12 ILE A 363 -15.000 -2.584 5.301 1.00 0.19 H new ATOM 0 HD13 ILE A 363 -16.588 -3.376 5.171 1.00 0.19 H new ATOM 578 N PHE A 364 -11.850 -5.295 2.713 1.00 0.09 N ATOM 579 CA PHE A 364 -11.136 -6.000 1.659 1.00 0.08 C ATOM 580 C PHE A 364 -9.972 -6.790 2.236 1.00 0.08 C ATOM 581 O PHE A 364 -9.333 -6.359 3.198 1.00 0.09 O ATOM 582 CB PHE A 364 -10.639 -5.006 0.604 1.00 0.09 C ATOM 583 CG PHE A 364 -9.445 -4.194 1.033 1.00 0.09 C ATOM 584 CD1 PHE A 364 -9.572 -3.166 1.952 1.00 0.09 C ATOM 585 CD2 PHE A 364 -8.193 -4.466 0.511 1.00 0.10 C ATOM 586 CE1 PHE A 364 -8.467 -2.427 2.341 1.00 0.10 C ATOM 587 CE2 PHE A 364 -7.087 -3.732 0.893 1.00 0.10 C ATOM 588 CZ PHE A 364 -7.224 -2.712 1.807 1.00 0.10 C ATOM 0 H PHE A 364 -11.260 -4.720 3.314 1.00 0.09 H new ATOM 0 HA PHE A 364 -11.821 -6.702 1.184 1.00 0.08 H new ATOM 0 HB2 PHE A 364 -10.384 -5.554 -0.303 1.00 0.09 H new ATOM 0 HB3 PHE A 364 -11.453 -4.327 0.349 1.00 0.09 H new ATOM 0 HD1 PHE A 364 -10.542 -2.938 2.369 1.00 0.09 H new ATOM 0 HD2 PHE A 364 -8.079 -5.265 -0.207 1.00 0.10 H new ATOM 0 HE1 PHE A 364 -8.576 -1.629 3.061 1.00 0.10 H new ATOM 0 HE2 PHE A 364 -6.117 -3.958 0.475 1.00 0.10 H new ATOM 0 HZ PHE A 364 -6.362 -2.135 2.107 1.00 0.10 H new ATOM 598 N ARG A 365 -9.691 -7.945 1.651 1.00 0.08 N ATOM 599 CA ARG A 365 -8.646 -8.807 2.162 1.00 0.09 C ATOM 600 C ARG A 365 -7.451 -8.814 1.245 1.00 0.09 C ATOM 601 O ARG A 365 -7.577 -9.052 0.042 1.00 0.10 O ATOM 602 CB ARG A 365 -9.141 -10.244 2.334 1.00 0.13 C ATOM 603 CG ARG A 365 -8.023 -11.235 2.627 1.00 0.20 C ATOM 604 CD ARG A 365 -8.505 -12.678 2.612 1.00 0.26 C ATOM 605 NE ARG A 365 -9.387 -12.990 3.734 1.00 0.58 N ATOM 606 CZ ARG A 365 -10.353 -13.910 3.689 1.00 0.73 C ATOM 607 NH1 ARG A 365 -10.568 -14.606 2.578 1.00 1.04 N ATOM 608 NH2 ARG A 365 -11.094 -14.144 4.761 1.00 1.14 N ATOM 0 H ARG A 365 -10.172 -8.302 0.826 1.00 0.08 H new ATOM 0 HA ARG A 365 -8.357 -8.408 3.134 1.00 0.09 H new ATOM 0 HB2 ARG A 365 -9.867 -10.276 3.146 1.00 0.13 H new ATOM 0 HB3 ARG A 365 -9.662 -10.552 1.428 1.00 0.13 H new ATOM 0 HG2 ARG A 365 -7.230 -11.112 1.889 1.00 0.20 H new ATOM 0 HG3 ARG A 365 -7.589 -11.010 3.601 1.00 0.20 H new ATOM 0 HD2 ARG A 365 -9.031 -12.871 1.677 1.00 0.26 H new ATOM 0 HD3 ARG A 365 -7.643 -13.345 2.636 1.00 0.26 H new ATOM 0 HE ARG A 365 -9.257 -12.474 4.604 1.00 0.58 H new ATOM 0 HH11 ARG A 365 -9.993 -14.439 1.752 1.00 1.04 H new ATOM 0 HH12 ARG A 365 -11.308 -15.308 2.551 1.00 1.04 H new ATOM 0 HH21 ARG A 365 -10.927 -13.621 5.621 1.00 1.14 H new ATOM 0 HH22 ARG A 365 -11.832 -14.847 4.727 1.00 1.14 H new ATOM 622 N ILE A 366 -6.292 -8.569 1.814 1.00 0.09 N ATOM 623 CA ILE A 366 -5.065 -8.779 1.096 1.00 0.09 C ATOM 624 C ILE A 366 -4.680 -10.244 1.216 1.00 0.09 C ATOM 625 O ILE A 366 -4.337 -10.736 2.294 1.00 0.12 O ATOM 626 CB ILE A 366 -3.948 -7.838 1.580 1.00 0.10 C ATOM 627 CG1 ILE A 366 -4.280 -6.414 1.100 1.00 0.11 C ATOM 628 CG2 ILE A 366 -2.594 -8.317 1.074 1.00 0.09 C ATOM 629 CD1 ILE A 366 -3.288 -5.346 1.504 1.00 0.12 C ATOM 0 H ILE A 366 -6.178 -8.226 2.768 1.00 0.09 H new ATOM 0 HA ILE A 366 -5.213 -8.536 0.044 1.00 0.09 H new ATOM 0 HB ILE A 366 -3.888 -7.837 2.668 1.00 0.10 H new ATOM 0 HG12 ILE A 366 -4.355 -6.424 0.013 1.00 0.11 H new ATOM 0 HG13 ILE A 366 -5.262 -6.139 1.485 1.00 0.11 H new ATOM 0 HG21 ILE A 366 -1.814 -7.641 1.425 1.00 0.09 H new ATOM 0 HG22 ILE A 366 -2.400 -9.321 1.450 1.00 0.09 H new ATOM 0 HG23 ILE A 366 -2.597 -8.332 -0.016 1.00 0.09 H new ATOM 0 HD11 ILE A 366 -3.614 -4.381 1.116 1.00 0.12 H new ATOM 0 HD12 ILE A 366 -3.227 -5.298 2.591 1.00 0.12 H new ATOM 0 HD13 ILE A 366 -2.307 -5.588 1.096 1.00 0.12 H new ATOM 641 N VAL A 367 -4.793 -10.929 0.094 1.00 0.10 N ATOM 642 CA VAL A 367 -4.721 -12.377 0.039 1.00 0.12 C ATOM 643 C VAL A 367 -3.275 -12.864 -0.036 1.00 0.13 C ATOM 644 O VAL A 367 -2.887 -13.802 0.662 1.00 0.19 O ATOM 645 CB VAL A 367 -5.531 -12.882 -1.167 1.00 0.15 C ATOM 646 CG1 VAL A 367 -5.335 -14.362 -1.393 1.00 0.17 C ATOM 647 CG2 VAL A 367 -7.006 -12.562 -0.990 1.00 0.20 C ATOM 0 H VAL A 367 -4.939 -10.491 -0.815 1.00 0.10 H new ATOM 0 HA VAL A 367 -5.148 -12.782 0.956 1.00 0.12 H new ATOM 0 HB VAL A 367 -5.161 -12.363 -2.051 1.00 0.15 H new ATOM 0 HG11 VAL A 367 -5.924 -14.680 -2.254 1.00 0.17 H new ATOM 0 HG12 VAL A 367 -4.280 -14.565 -1.580 1.00 0.17 H new ATOM 0 HG13 VAL A 367 -5.659 -14.911 -0.509 1.00 0.17 H new ATOM 0 HG21 VAL A 367 -7.563 -12.927 -1.853 1.00 0.20 H new ATOM 0 HG22 VAL A 367 -7.378 -13.046 -0.087 1.00 0.20 H new ATOM 0 HG23 VAL A 367 -7.136 -11.483 -0.903 1.00 0.20 H new ATOM 657 N ASP A 368 -2.483 -12.225 -0.877 1.00 0.12 N ATOM 658 CA ASP A 368 -1.058 -12.500 -0.928 1.00 0.13 C ATOM 659 C ASP A 368 -0.300 -11.199 -0.831 1.00 0.12 C ATOM 660 O ASP A 368 0.015 -10.561 -1.835 1.00 0.12 O ATOM 661 CB ASP A 368 -0.647 -13.252 -2.192 1.00 0.18 C ATOM 662 CG ASP A 368 0.821 -13.647 -2.164 1.00 0.25 C ATOM 663 OD1 ASP A 368 1.149 -14.679 -1.543 1.00 0.52 O ATOM 664 OD2 ASP A 368 1.656 -12.935 -2.762 1.00 0.50 O ATOM 0 H ASP A 368 -2.801 -11.512 -1.534 1.00 0.12 H new ATOM 0 HA ASP A 368 -0.815 -13.147 -0.085 1.00 0.13 H new ATOM 0 HB2 ASP A 368 -1.262 -14.146 -2.299 1.00 0.18 H new ATOM 0 HB3 ASP A 368 -0.838 -12.627 -3.065 1.00 0.18 H new ATOM 669 N PRO A 369 -0.035 -10.787 0.402 1.00 0.11 N ATOM 670 CA PRO A 369 0.605 -9.520 0.715 1.00 0.11 C ATOM 671 C PRO A 369 1.923 -9.299 -0.018 1.00 0.12 C ATOM 672 O PRO A 369 2.197 -8.198 -0.497 1.00 0.14 O ATOM 673 CB PRO A 369 0.819 -9.623 2.229 1.00 0.13 C ATOM 674 CG PRO A 369 -0.287 -10.477 2.669 1.00 0.13 C ATOM 675 CD PRO A 369 -0.382 -11.522 1.620 1.00 0.13 C ATOM 0 HA PRO A 369 0.000 -8.669 0.402 1.00 0.11 H new ATOM 0 HB2 PRO A 369 1.787 -10.063 2.469 1.00 0.13 H new ATOM 0 HB3 PRO A 369 0.786 -8.644 2.707 1.00 0.13 H new ATOM 0 HG2 PRO A 369 -0.088 -10.913 3.648 1.00 0.13 H new ATOM 0 HG3 PRO A 369 -1.216 -9.913 2.754 1.00 0.13 H new ATOM 0 HD2 PRO A 369 0.307 -12.346 1.806 1.00 0.13 H new ATOM 0 HD3 PRO A 369 -1.383 -11.950 1.564 1.00 0.13 H new ATOM 683 N ASN A 370 2.726 -10.347 -0.114 1.00 0.15 N ATOM 684 CA ASN A 370 4.037 -10.246 -0.755 1.00 0.18 C ATOM 685 C ASN A 370 3.886 -9.797 -2.203 1.00 0.16 C ATOM 686 O ASN A 370 4.550 -8.861 -2.650 1.00 0.17 O ATOM 687 CB ASN A 370 4.758 -11.592 -0.706 1.00 0.25 C ATOM 688 CG ASN A 370 6.222 -11.485 -1.103 1.00 0.43 C ATOM 689 OD1 ASN A 370 6.569 -11.589 -2.278 1.00 1.13 O ATOM 690 ND2 ASN A 370 7.096 -11.307 -0.120 1.00 0.99 N ATOM 0 H ASN A 370 2.498 -11.276 0.241 1.00 0.15 H new ATOM 0 HA ASN A 370 4.627 -9.507 -0.213 1.00 0.18 H new ATOM 0 HB2 ASN A 370 4.687 -12.001 0.302 1.00 0.25 H new ATOM 0 HB3 ASN A 370 4.255 -12.294 -1.371 1.00 0.25 H new ATOM 0 HD21 ASN A 370 8.093 -11.252 -0.328 1.00 0.99 H new ATOM 0 HD22 ASN A 370 6.771 -11.225 0.843 1.00 0.99 H new ATOM 697 N GLY A 371 2.995 -10.463 -2.922 1.00 0.16 N ATOM 698 CA GLY A 371 2.755 -10.122 -4.309 1.00 0.17 C ATOM 699 C GLY A 371 2.005 -8.813 -4.462 1.00 0.14 C ATOM 700 O GLY A 371 2.237 -8.074 -5.415 1.00 0.16 O ATOM 0 H GLY A 371 2.432 -11.236 -2.568 1.00 0.16 H new ATOM 0 HA2 GLY A 371 3.708 -10.055 -4.834 1.00 0.17 H new ATOM 0 HA3 GLY A 371 2.186 -10.921 -4.783 1.00 0.17 H new ATOM 704 N LEU A 372 1.104 -8.533 -3.524 1.00 0.13 N ATOM 705 CA LEU A 372 0.360 -7.274 -3.520 1.00 0.12 C ATOM 706 C LEU A 372 1.338 -6.103 -3.431 1.00 0.12 C ATOM 707 O LEU A 372 1.237 -5.126 -4.175 1.00 0.12 O ATOM 708 CB LEU A 372 -0.621 -7.256 -2.337 1.00 0.12 C ATOM 709 CG LEU A 372 -1.865 -6.371 -2.493 1.00 0.11 C ATOM 710 CD1 LEU A 372 -1.507 -4.897 -2.598 1.00 0.11 C ATOM 711 CD2 LEU A 372 -2.660 -6.804 -3.710 1.00 0.14 C ATOM 0 H LEU A 372 0.870 -9.161 -2.755 1.00 0.13 H new ATOM 0 HA LEU A 372 -0.211 -7.181 -4.444 1.00 0.12 H new ATOM 0 HB2 LEU A 372 -0.951 -8.278 -2.151 1.00 0.12 H new ATOM 0 HB3 LEU A 372 -0.079 -6.930 -1.449 1.00 0.12 H new ATOM 0 HG LEU A 372 -2.473 -6.496 -1.597 1.00 0.11 H new ATOM 0 HD11 LEU A 372 -2.418 -4.308 -2.707 1.00 0.11 H new ATOM 0 HD12 LEU A 372 -0.979 -4.586 -1.696 1.00 0.11 H new ATOM 0 HD13 LEU A 372 -0.867 -4.739 -3.466 1.00 0.11 H new ATOM 0 HD21 LEU A 372 -3.541 -6.171 -3.813 1.00 0.14 H new ATOM 0 HD22 LEU A 372 -2.040 -6.711 -4.602 1.00 0.14 H new ATOM 0 HD23 LEU A 372 -2.971 -7.842 -3.591 1.00 0.14 H new ATOM 723 N ALA A 373 2.293 -6.232 -2.522 1.00 0.13 N ATOM 724 CA ALA A 373 3.362 -5.254 -2.363 1.00 0.16 C ATOM 725 C ALA A 373 4.130 -5.071 -3.665 1.00 0.18 C ATOM 726 O ALA A 373 4.465 -3.953 -4.050 1.00 0.22 O ATOM 727 CB ALA A 373 4.299 -5.720 -1.278 1.00 0.18 C ATOM 0 H ALA A 373 2.350 -7.017 -1.873 1.00 0.13 H new ATOM 0 HA ALA A 373 2.924 -4.294 -2.090 1.00 0.16 H new ATOM 0 HB1 ALA A 373 5.102 -4.993 -1.153 1.00 0.18 H new ATOM 0 HB2 ALA A 373 3.750 -5.819 -0.341 1.00 0.18 H new ATOM 0 HB3 ALA A 373 4.723 -6.685 -1.554 1.00 0.18 H new ATOM 733 N ARG A 374 4.406 -6.180 -4.341 1.00 0.19 N ATOM 734 CA ARG A 374 5.131 -6.146 -5.601 1.00 0.24 C ATOM 735 C ARG A 374 4.280 -5.567 -6.724 1.00 0.19 C ATOM 736 O ARG A 374 4.808 -4.962 -7.658 1.00 0.21 O ATOM 737 CB ARG A 374 5.647 -7.531 -5.961 1.00 0.33 C ATOM 738 CG ARG A 374 7.042 -7.775 -5.417 1.00 0.67 C ATOM 739 CD ARG A 374 7.134 -9.063 -4.629 1.00 0.92 C ATOM 740 NE ARG A 374 8.475 -9.248 -4.075 1.00 1.47 N ATOM 741 CZ ARG A 374 9.187 -10.363 -4.201 1.00 1.99 C ATOM 742 NH1 ARG A 374 8.669 -11.419 -4.819 1.00 2.45 N ATOM 743 NH2 ARG A 374 10.415 -10.424 -3.704 1.00 2.67 N ATOM 0 H ARG A 374 4.137 -7.115 -4.035 1.00 0.19 H new ATOM 0 HA ARG A 374 5.988 -5.485 -5.473 1.00 0.24 H new ATOM 0 HB2 ARG A 374 4.967 -8.286 -5.566 1.00 0.33 H new ATOM 0 HB3 ARG A 374 5.655 -7.645 -7.045 1.00 0.33 H new ATOM 0 HG2 ARG A 374 7.752 -7.806 -6.244 1.00 0.67 H new ATOM 0 HG3 ARG A 374 7.332 -6.940 -4.779 1.00 0.67 H new ATOM 0 HD2 ARG A 374 6.402 -9.052 -3.821 1.00 0.92 H new ATOM 0 HD3 ARG A 374 6.884 -9.906 -5.274 1.00 0.92 H new ATOM 0 HE ARG A 374 8.890 -8.472 -3.559 1.00 1.47 H new ATOM 0 HH11 ARG A 374 7.723 -11.375 -5.198 1.00 2.45 H new ATOM 0 HH12 ARG A 374 9.217 -12.274 -4.915 1.00 2.45 H new ATOM 0 HH21 ARG A 374 10.812 -9.616 -3.225 1.00 2.67 H new ATOM 0 HH22 ARG A 374 10.962 -11.279 -3.800 1.00 2.67 H new ATOM 757 N LEU A 375 2.972 -5.771 -6.645 1.00 0.17 N ATOM 758 CA LEU A 375 2.046 -5.120 -7.560 1.00 0.18 C ATOM 759 C LEU A 375 2.132 -3.614 -7.400 1.00 0.19 C ATOM 760 O LEU A 375 2.343 -2.886 -8.371 1.00 0.22 O ATOM 761 CB LEU A 375 0.608 -5.588 -7.315 1.00 0.18 C ATOM 762 CG LEU A 375 0.304 -6.995 -7.810 1.00 0.21 C ATOM 763 CD1 LEU A 375 -1.127 -7.379 -7.494 1.00 0.23 C ATOM 764 CD2 LEU A 375 0.556 -7.096 -9.303 1.00 0.26 C ATOM 0 H LEU A 375 2.529 -6.381 -5.958 1.00 0.17 H new ATOM 0 HA LEU A 375 2.326 -5.393 -8.577 1.00 0.18 H new ATOM 0 HB2 LEU A 375 0.402 -5.541 -6.246 1.00 0.18 H new ATOM 0 HB3 LEU A 375 -0.074 -4.891 -7.801 1.00 0.18 H new ATOM 0 HG LEU A 375 0.968 -7.688 -7.294 1.00 0.21 H new ATOM 0 HD11 LEU A 375 -1.322 -8.388 -7.857 1.00 0.23 H new ATOM 0 HD12 LEU A 375 -1.283 -7.345 -6.416 1.00 0.23 H new ATOM 0 HD13 LEU A 375 -1.807 -6.681 -7.982 1.00 0.23 H new ATOM 0 HD21 LEU A 375 0.334 -8.108 -9.642 1.00 0.26 H new ATOM 0 HD22 LEU A 375 -0.085 -6.389 -9.829 1.00 0.26 H new ATOM 0 HD23 LEU A 375 1.600 -6.864 -9.512 1.00 0.26 H new ATOM 776 N TRP A 376 1.983 -3.156 -6.166 1.00 0.18 N ATOM 777 CA TRP A 376 2.079 -1.737 -5.865 1.00 0.20 C ATOM 778 C TRP A 376 3.468 -1.211 -6.225 1.00 0.25 C ATOM 779 O TRP A 376 3.602 -0.132 -6.800 1.00 0.30 O ATOM 780 CB TRP A 376 1.763 -1.493 -4.389 1.00 0.20 C ATOM 781 CG TRP A 376 1.881 -0.056 -3.991 1.00 0.20 C ATOM 782 CD1 TRP A 376 1.102 0.979 -4.422 1.00 0.20 C ATOM 783 CD2 TRP A 376 2.824 0.504 -3.073 1.00 0.24 C ATOM 784 NE1 TRP A 376 1.528 2.157 -3.849 1.00 0.23 N ATOM 785 CE2 TRP A 376 2.577 1.888 -3.012 1.00 0.26 C ATOM 786 CE3 TRP A 376 3.859 -0.029 -2.302 1.00 0.29 C ATOM 787 CZ2 TRP A 376 3.328 2.744 -2.210 1.00 0.31 C ATOM 788 CZ3 TRP A 376 4.600 0.819 -1.503 1.00 0.34 C ATOM 789 CH2 TRP A 376 4.332 2.192 -1.463 1.00 0.35 C ATOM 0 H TRP A 376 1.795 -3.748 -5.357 1.00 0.18 H new ATOM 0 HA TRP A 376 1.348 -1.195 -6.465 1.00 0.20 H new ATOM 0 HB2 TRP A 376 0.751 -1.840 -4.179 1.00 0.20 H new ATOM 0 HB3 TRP A 376 2.438 -2.090 -3.776 1.00 0.20 H new ATOM 0 HD1 TRP A 376 0.275 0.888 -5.110 1.00 0.20 H new ATOM 0 HE1 TRP A 376 1.127 3.079 -4.020 1.00 0.23 H new ATOM 0 HE3 TRP A 376 4.076 -1.087 -2.330 1.00 0.29 H new ATOM 0 HZ2 TRP A 376 3.125 3.804 -2.179 1.00 0.31 H new ATOM 0 HZ3 TRP A 376 5.400 0.416 -0.899 1.00 0.34 H new ATOM 0 HH2 TRP A 376 4.931 2.829 -0.829 1.00 0.35 H new ATOM 800 N GLY A 377 4.493 -1.994 -5.901 1.00 0.27 N ATOM 801 CA GLY A 377 5.848 -1.673 -6.311 1.00 0.33 C ATOM 802 C GLY A 377 5.954 -1.499 -7.814 1.00 0.38 C ATOM 803 O GLY A 377 6.564 -0.549 -8.291 1.00 0.41 O ATOM 0 H GLY A 377 4.407 -2.852 -5.357 1.00 0.27 H new ATOM 0 HA2 GLY A 377 6.171 -0.758 -5.815 1.00 0.33 H new ATOM 0 HA3 GLY A 377 6.523 -2.465 -5.988 1.00 0.33 H new ATOM 807 N ASN A 378 5.331 -2.408 -8.552 1.00 0.41 N ATOM 808 CA ASN A 378 5.325 -2.368 -10.014 1.00 0.50 C ATOM 809 C ASN A 378 4.734 -1.050 -10.524 1.00 0.51 C ATOM 810 O ASN A 378 5.227 -0.464 -11.489 1.00 0.62 O ATOM 811 CB ASN A 378 4.527 -3.557 -10.557 1.00 0.54 C ATOM 812 CG ASN A 378 4.550 -3.653 -12.070 1.00 0.72 C ATOM 813 OD1 ASN A 378 5.505 -3.230 -12.719 1.00 0.89 O ATOM 814 ND2 ASN A 378 3.505 -4.236 -12.644 1.00 1.06 N ATOM 0 H ASN A 378 4.815 -3.195 -8.158 1.00 0.41 H new ATOM 0 HA ASN A 378 6.353 -2.433 -10.370 1.00 0.50 H new ATOM 0 HB2 ASN A 378 4.928 -4.478 -10.135 1.00 0.54 H new ATOM 0 HB3 ASN A 378 3.493 -3.476 -10.221 1.00 0.54 H new ATOM 0 HD21 ASN A 378 3.475 -4.346 -13.658 1.00 1.06 H new ATOM 0 HD22 ASN A 378 2.732 -4.574 -12.072 1.00 1.06 H new ATOM 821 N HIS A 379 3.688 -0.583 -9.852 1.00 0.44 N ATOM 822 CA HIS A 379 3.037 0.677 -10.201 1.00 0.49 C ATOM 823 C HIS A 379 3.914 1.879 -9.830 1.00 0.53 C ATOM 824 O HIS A 379 3.829 2.940 -10.448 1.00 0.67 O ATOM 825 CB HIS A 379 1.682 0.758 -9.491 1.00 0.51 C ATOM 826 CG HIS A 379 0.895 2.005 -9.769 1.00 0.61 C ATOM 827 ND1 HIS A 379 0.263 2.196 -10.970 1.00 0.70 N ATOM 828 CD2 HIS A 379 0.651 3.069 -8.965 1.00 0.78 C ATOM 829 CE1 HIS A 379 -0.356 3.358 -10.873 1.00 0.84 C ATOM 830 NE2 HIS A 379 -0.150 3.927 -9.675 1.00 0.89 N ATOM 0 H HIS A 379 3.269 -1.062 -9.055 1.00 0.44 H new ATOM 0 HA HIS A 379 2.885 0.707 -11.280 1.00 0.49 H new ATOM 0 HB2 HIS A 379 1.083 -0.105 -9.783 1.00 0.51 H new ATOM 0 HB3 HIS A 379 1.847 0.682 -8.416 1.00 0.51 H new ATOM 0 HD2 HIS A 379 1.017 3.213 -7.959 1.00 0.78 H new ATOM 0 HE1 HIS A 379 -0.953 3.796 -11.659 1.00 0.84 H new ATOM 0 HE2 HIS A 379 -0.517 4.823 -9.355 1.00 0.89 H new ATOM 838 N LYS A 380 4.764 1.700 -8.827 1.00 0.47 N ATOM 839 CA LYS A 380 5.608 2.781 -8.333 1.00 0.55 C ATOM 840 C LYS A 380 7.046 2.624 -8.830 1.00 0.56 C ATOM 841 O LYS A 380 7.982 3.067 -8.166 1.00 0.70 O ATOM 842 CB LYS A 380 5.581 2.819 -6.805 1.00 0.62 C ATOM 843 CG LYS A 380 4.178 2.922 -6.228 1.00 0.79 C ATOM 844 CD LYS A 380 3.424 4.132 -6.761 1.00 0.75 C ATOM 845 CE LYS A 380 3.965 5.438 -6.201 1.00 0.84 C ATOM 846 NZ LYS A 380 3.098 6.592 -6.563 1.00 1.36 N ATOM 0 H LYS A 380 4.888 0.813 -8.338 1.00 0.47 H new ATOM 0 HA LYS A 380 5.214 3.721 -8.718 1.00 0.55 H new ATOM 0 HB2 LYS A 380 6.060 1.919 -6.418 1.00 0.62 H new ATOM 0 HB3 LYS A 380 6.171 3.668 -6.460 1.00 0.62 H new ATOM 0 HG2 LYS A 380 3.622 2.016 -6.466 1.00 0.79 H new ATOM 0 HG3 LYS A 380 4.238 2.983 -5.141 1.00 0.79 H new ATOM 0 HD2 LYS A 380 3.491 4.150 -7.849 1.00 0.75 H new ATOM 0 HD3 LYS A 380 2.368 4.040 -6.508 1.00 0.75 H new ATOM 0 HE2 LYS A 380 4.040 5.365 -5.116 1.00 0.84 H new ATOM 0 HE3 LYS A 380 4.973 5.607 -6.580 1.00 0.84 H new ATOM 0 HZ1 LYS A 380 3.063 7.262 -5.769 1.00 1.36 H new ATOM 0 HZ2 LYS A 380 3.487 7.069 -7.401 1.00 1.36 H new ATOM 0 HZ3 LYS A 380 2.138 6.252 -6.772 1.00 1.36 H new ATOM 860 N ASN A 381 7.197 1.955 -9.981 1.00 0.52 N ATOM 861 CA ASN A 381 8.501 1.687 -10.618 1.00 0.60 C ATOM 862 C ASN A 381 9.516 1.090 -9.635 1.00 0.59 C ATOM 863 O ASN A 381 10.718 1.339 -9.720 1.00 0.76 O ATOM 864 CB ASN A 381 9.070 2.937 -11.334 1.00 0.76 C ATOM 865 CG ASN A 381 9.463 4.095 -10.420 1.00 1.50 C ATOM 866 OD1 ASN A 381 8.648 4.969 -10.116 1.00 2.30 O ATOM 867 ND2 ASN A 381 10.723 4.136 -10.009 1.00 2.17 N ATOM 0 H ASN A 381 6.408 1.578 -10.506 1.00 0.52 H new ATOM 0 HA ASN A 381 8.318 0.934 -11.385 1.00 0.60 H new ATOM 0 HB2 ASN A 381 9.946 2.638 -11.909 1.00 0.76 H new ATOM 0 HB3 ASN A 381 8.328 3.295 -12.047 1.00 0.76 H new ATOM 0 HD21 ASN A 381 11.044 4.907 -9.423 1.00 2.17 H new ATOM 0 HD22 ASN A 381 11.372 3.397 -10.279 1.00 2.17 H new ATOM 874 N ARG A 382 9.023 0.259 -8.731 1.00 0.49 N ATOM 875 CA ARG A 382 9.854 -0.370 -7.719 1.00 0.55 C ATOM 876 C ARG A 382 10.021 -1.859 -7.990 1.00 0.67 C ATOM 877 O ARG A 382 9.265 -2.453 -8.761 1.00 0.79 O ATOM 878 CB ARG A 382 9.249 -0.132 -6.336 1.00 0.51 C ATOM 879 CG ARG A 382 9.496 1.271 -5.827 1.00 0.70 C ATOM 880 CD ARG A 382 10.988 1.553 -5.732 1.00 1.09 C ATOM 881 NE ARG A 382 11.284 2.951 -5.421 1.00 1.88 N ATOM 882 CZ ARG A 382 12.403 3.354 -4.813 1.00 2.39 C ATOM 883 NH1 ARG A 382 13.311 2.463 -4.429 1.00 2.40 N ATOM 884 NH2 ARG A 382 12.610 4.646 -4.597 1.00 3.26 N ATOM 0 H ARG A 382 8.037 0.002 -8.679 1.00 0.49 H new ATOM 0 HA ARG A 382 10.846 0.080 -7.754 1.00 0.55 H new ATOM 0 HB2 ARG A 382 8.175 -0.316 -6.376 1.00 0.51 H new ATOM 0 HB3 ARG A 382 9.669 -0.850 -5.631 1.00 0.51 H new ATOM 0 HG2 ARG A 382 9.026 1.993 -6.494 1.00 0.70 H new ATOM 0 HG3 ARG A 382 9.034 1.394 -4.847 1.00 0.70 H new ATOM 0 HD2 ARG A 382 11.425 0.915 -4.964 1.00 1.09 H new ATOM 0 HD3 ARG A 382 11.464 1.287 -6.676 1.00 1.09 H new ATOM 0 HE ARG A 382 10.597 3.658 -5.683 1.00 1.88 H new ATOM 0 HH11 ARG A 382 13.154 1.469 -4.598 1.00 2.40 H new ATOM 0 HH12 ARG A 382 14.165 2.773 -3.965 1.00 2.40 H new ATOM 0 HH21 ARG A 382 11.915 5.331 -4.895 1.00 3.26 H new ATOM 0 HH22 ARG A 382 13.464 4.955 -4.133 1.00 3.26 H new ATOM 943 N THR A 386 8.433 -5.620 -0.702 1.00 0.33 N ATOM 944 CA THR A 386 7.808 -6.642 0.117 1.00 0.28 C ATOM 945 C THR A 386 6.629 -6.032 0.874 1.00 0.21 C ATOM 946 O THR A 386 6.574 -4.816 1.000 1.00 0.24 O ATOM 947 CB THR A 386 8.850 -7.180 1.101 1.00 0.33 C ATOM 948 OG1 THR A 386 9.999 -7.653 0.396 1.00 0.54 O ATOM 949 CG2 THR A 386 8.304 -8.277 1.966 1.00 0.26 C ATOM 0 HA THR A 386 7.439 -7.458 -0.505 1.00 0.28 H new ATOM 0 HB THR A 386 9.130 -6.352 1.752 1.00 0.33 H new ATOM 0 HG1 THR A 386 10.118 -7.130 -0.424 1.00 0.54 H new ATOM 0 HG21 THR A 386 9.081 -8.625 2.646 1.00 0.26 H new ATOM 0 HG22 THR A 386 7.459 -7.900 2.542 1.00 0.26 H new ATOM 0 HG23 THR A 386 7.974 -9.105 1.339 1.00 0.26 H new ATOM 957 N TYR A 387 5.679 -6.829 1.364 1.00 0.19 N ATOM 958 CA TYR A 387 4.498 -6.248 1.999 1.00 0.17 C ATOM 959 C TYR A 387 4.875 -5.434 3.224 1.00 0.16 C ATOM 960 O TYR A 387 4.384 -4.327 3.400 1.00 0.18 O ATOM 961 CB TYR A 387 3.466 -7.286 2.390 1.00 0.19 C ATOM 962 CG TYR A 387 2.160 -6.631 2.761 1.00 0.20 C ATOM 963 CD1 TYR A 387 1.982 -6.060 4.010 1.00 0.21 C ATOM 964 CD2 TYR A 387 1.119 -6.557 1.856 1.00 0.22 C ATOM 965 CE1 TYR A 387 0.804 -5.434 4.345 1.00 0.24 C ATOM 966 CE2 TYR A 387 -0.063 -5.940 2.186 1.00 0.25 C ATOM 967 CZ TYR A 387 -0.212 -5.375 3.431 1.00 0.26 C ATOM 968 OH TYR A 387 -1.385 -4.761 3.769 1.00 0.30 O ATOM 0 H TYR A 387 5.701 -7.848 1.336 1.00 0.19 H new ATOM 0 HA TYR A 387 4.051 -5.597 1.248 1.00 0.17 H new ATOM 0 HB2 TYR A 387 3.309 -7.978 1.563 1.00 0.19 H new ATOM 0 HB3 TYR A 387 3.835 -7.873 3.231 1.00 0.19 H new ATOM 0 HD1 TYR A 387 2.782 -6.107 4.734 1.00 0.21 H new ATOM 0 HD2 TYR A 387 1.236 -6.991 0.874 1.00 0.22 H new ATOM 0 HE1 TYR A 387 0.682 -4.992 5.323 1.00 0.24 H new ATOM 0 HE2 TYR A 387 -0.872 -5.899 1.471 1.00 0.25 H new ATOM 0 HH TYR A 387 -1.891 -5.336 4.380 1.00 0.30 H new ATOM 978 N GLU A 388 5.727 -5.981 4.074 1.00 0.20 N ATOM 979 CA GLU A 388 6.216 -5.243 5.235 1.00 0.26 C ATOM 980 C GLU A 388 6.797 -3.902 4.795 1.00 0.25 C ATOM 981 O GLU A 388 6.659 -2.888 5.476 1.00 0.31 O ATOM 982 CB GLU A 388 7.272 -6.058 5.962 1.00 0.38 C ATOM 983 CG GLU A 388 6.750 -7.378 6.497 1.00 1.00 C ATOM 984 CD GLU A 388 7.821 -8.204 7.169 1.00 1.78 C ATOM 985 OE1 GLU A 388 8.793 -8.594 6.487 1.00 2.37 O ATOM 986 OE2 GLU A 388 7.695 -8.479 8.379 1.00 2.34 O ATOM 0 H GLU A 388 6.095 -6.928 3.987 1.00 0.20 H new ATOM 0 HA GLU A 388 5.384 -5.060 5.915 1.00 0.26 H new ATOM 0 HB2 GLU A 388 8.102 -6.252 5.283 1.00 0.38 H new ATOM 0 HB3 GLU A 388 7.668 -5.470 6.790 1.00 0.38 H new ATOM 0 HG2 GLU A 388 5.948 -7.184 7.209 1.00 1.00 H new ATOM 0 HG3 GLU A 388 6.317 -7.951 5.677 1.00 1.00 H new ATOM 993 N LYS A 389 7.418 -3.922 3.629 1.00 0.24 N ATOM 994 CA LYS A 389 7.975 -2.730 3.009 1.00 0.28 C ATOM 995 C LYS A 389 6.860 -1.835 2.433 1.00 0.26 C ATOM 996 O LYS A 389 6.983 -0.613 2.412 1.00 0.32 O ATOM 997 CB LYS A 389 8.962 -3.154 1.912 1.00 0.34 C ATOM 998 CG LYS A 389 10.114 -4.006 2.431 1.00 0.46 C ATOM 999 CD LYS A 389 10.950 -4.557 1.287 1.00 0.52 C ATOM 1000 CE LYS A 389 12.029 -5.515 1.774 1.00 0.72 C ATOM 1001 NZ LYS A 389 11.475 -6.687 2.499 1.00 1.62 N ATOM 0 H LYS A 389 7.552 -4.772 3.081 1.00 0.24 H new ATOM 0 HA LYS A 389 8.502 -2.144 3.762 1.00 0.28 H new ATOM 0 HB2 LYS A 389 8.424 -3.712 1.145 1.00 0.34 H new ATOM 0 HB3 LYS A 389 9.366 -2.262 1.433 1.00 0.34 H new ATOM 0 HG2 LYS A 389 10.744 -3.408 3.090 1.00 0.46 H new ATOM 0 HG3 LYS A 389 9.721 -4.830 3.027 1.00 0.46 H new ATOM 0 HD2 LYS A 389 10.300 -5.073 0.580 1.00 0.52 H new ATOM 0 HD3 LYS A 389 11.415 -3.731 0.749 1.00 0.52 H new ATOM 0 HE2 LYS A 389 12.611 -5.863 0.921 1.00 0.72 H new ATOM 0 HE3 LYS A 389 12.715 -4.979 2.430 1.00 0.72 H new ATOM 0 HZ1 LYS A 389 12.223 -7.124 3.074 1.00 1.62 H new ATOM 0 HZ2 LYS A 389 10.699 -6.377 3.118 1.00 1.62 H new ATOM 0 HZ3 LYS A 389 11.115 -7.381 1.813 1.00 1.62 H new ATOM 1015 N MET A 390 5.767 -2.457 1.984 1.00 0.19 N ATOM 1016 CA MET A 390 4.626 -1.734 1.429 1.00 0.20 C ATOM 1017 C MET A 390 3.772 -1.135 2.553 1.00 0.20 C ATOM 1018 O MET A 390 3.179 -0.064 2.401 1.00 0.22 O ATOM 1019 CB MET A 390 3.782 -2.677 0.564 1.00 0.18 C ATOM 1020 CG MET A 390 2.312 -2.691 0.939 1.00 0.23 C ATOM 1021 SD MET A 390 1.285 -3.562 -0.258 1.00 0.68 S ATOM 1022 CE MET A 390 -0.353 -3.087 0.292 1.00 1.18 C ATOM 0 H MET A 390 5.651 -3.470 1.996 1.00 0.19 H new ATOM 0 HA MET A 390 4.996 -0.919 0.807 1.00 0.20 H new ATOM 0 HB2 MET A 390 3.879 -2.383 -0.481 1.00 0.18 H new ATOM 0 HB3 MET A 390 4.180 -3.688 0.649 1.00 0.18 H new ATOM 0 HG2 MET A 390 2.197 -3.160 1.916 1.00 0.23 H new ATOM 0 HG3 MET A 390 1.958 -1.665 1.034 1.00 0.23 H new ATOM 0 HE1 MET A 390 -0.990 -2.909 -0.574 1.00 1.18 H new ATOM 0 HE2 MET A 390 -0.779 -3.886 0.898 1.00 1.18 H new ATOM 0 HE3 MET A 390 -0.287 -2.176 0.887 1.00 1.18 H new ATOM 1032 N SER A 391 3.729 -1.841 3.685 1.00 0.20 N ATOM 1033 CA SER A 391 2.938 -1.435 4.844 1.00 0.21 C ATOM 1034 C SER A 391 3.367 -0.065 5.341 1.00 0.18 C ATOM 1035 O SER A 391 2.612 0.627 6.016 1.00 0.18 O ATOM 1036 CB SER A 391 3.102 -2.434 5.977 1.00 0.26 C ATOM 1037 OG SER A 391 2.768 -3.737 5.567 1.00 0.64 O ATOM 0 H SER A 391 4.243 -2.711 3.822 1.00 0.20 H new ATOM 0 HA SER A 391 1.895 -1.397 4.531 1.00 0.21 H new ATOM 0 HB2 SER A 391 4.132 -2.416 6.333 1.00 0.26 H new ATOM 0 HB3 SER A 391 2.470 -2.142 6.816 1.00 0.26 H new ATOM 0 HG SER A 391 1.951 -3.711 5.027 1.00 0.64 H new ATOM 1043 N ARG A 392 4.593 0.307 5.001 1.00 0.19 N ATOM 1044 CA ARG A 392 5.155 1.582 5.422 1.00 0.20 C ATOM 1045 C ARG A 392 4.293 2.729 4.904 1.00 0.19 C ATOM 1046 O ARG A 392 4.125 3.745 5.575 1.00 0.23 O ATOM 1047 CB ARG A 392 6.586 1.728 4.911 1.00 0.24 C ATOM 1048 CG ARG A 392 7.527 0.622 5.359 1.00 0.52 C ATOM 1049 CD ARG A 392 7.814 0.690 6.844 1.00 0.67 C ATOM 1050 NE ARG A 392 8.379 1.979 7.242 1.00 1.31 N ATOM 1051 CZ ARG A 392 8.810 2.253 8.472 1.00 1.66 C ATOM 1052 NH1 ARG A 392 8.767 1.317 9.417 1.00 1.88 N ATOM 1053 NH2 ARG A 392 9.299 3.455 8.750 1.00 2.48 N ATOM 0 H ARG A 392 5.221 -0.260 4.431 1.00 0.19 H new ATOM 0 HA ARG A 392 5.171 1.614 6.511 1.00 0.20 H new ATOM 0 HB2 ARG A 392 6.569 1.755 3.821 1.00 0.24 H new ATOM 0 HB3 ARG A 392 6.983 2.685 5.248 1.00 0.24 H new ATOM 0 HG2 ARG A 392 7.089 -0.347 5.118 1.00 0.52 H new ATOM 0 HG3 ARG A 392 8.463 0.695 4.805 1.00 0.52 H new ATOM 0 HD2 ARG A 392 6.892 0.513 7.398 1.00 0.67 H new ATOM 0 HD3 ARG A 392 8.507 -0.107 7.115 1.00 0.67 H new ATOM 0 HE ARG A 392 8.447 2.712 6.536 1.00 1.31 H new ATOM 0 HH11 ARG A 392 8.404 0.389 9.200 1.00 1.88 H new ATOM 0 HH12 ARG A 392 9.097 1.528 10.359 1.00 1.88 H new ATOM 0 HH21 ARG A 392 9.344 4.168 8.022 1.00 2.48 H new ATOM 0 HH22 ARG A 392 9.629 3.666 9.692 1.00 2.48 H new ATOM 1067 N ALA A 393 3.738 2.548 3.708 1.00 0.16 N ATOM 1068 CA ALA A 393 2.812 3.515 3.134 1.00 0.16 C ATOM 1069 C ALA A 393 1.459 3.423 3.846 1.00 0.16 C ATOM 1070 O ALA A 393 0.843 4.435 4.171 1.00 0.19 O ATOM 1071 CB ALA A 393 2.656 3.274 1.634 1.00 0.19 C ATOM 0 H ALA A 393 3.916 1.736 3.117 1.00 0.16 H new ATOM 0 HA ALA A 393 3.211 4.520 3.274 1.00 0.16 H new ATOM 0 HB1 ALA A 393 1.961 4.004 1.219 1.00 0.19 H new ATOM 0 HB2 ALA A 393 3.625 3.377 1.146 1.00 0.19 H new ATOM 0 HB3 ALA A 393 2.270 2.269 1.465 1.00 0.19 H new ATOM 1077 N LEU A 394 1.026 2.187 4.109 1.00 0.15 N ATOM 1078 CA LEU A 394 -0.247 1.920 4.791 1.00 0.18 C ATOM 1079 C LEU A 394 -0.282 2.531 6.189 1.00 0.18 C ATOM 1080 O LEU A 394 -1.346 2.903 6.684 1.00 0.20 O ATOM 1081 CB LEU A 394 -0.477 0.413 4.913 1.00 0.22 C ATOM 1082 CG LEU A 394 -0.693 -0.331 3.599 1.00 0.25 C ATOM 1083 CD1 LEU A 394 -0.488 -1.821 3.815 1.00 0.35 C ATOM 1084 CD2 LEU A 394 -2.093 -0.056 3.055 1.00 0.24 C ATOM 0 H LEU A 394 1.544 1.345 3.857 1.00 0.15 H new ATOM 0 HA LEU A 394 -1.033 2.377 4.189 1.00 0.18 H new ATOM 0 HB2 LEU A 394 0.381 -0.027 5.422 1.00 0.22 H new ATOM 0 HB3 LEU A 394 -1.345 0.247 5.550 1.00 0.22 H new ATOM 0 HG LEU A 394 0.032 0.023 2.866 1.00 0.25 H new ATOM 0 HD11 LEU A 394 -0.643 -2.350 2.875 1.00 0.35 H new ATOM 0 HD12 LEU A 394 0.527 -2.001 4.169 1.00 0.35 H new ATOM 0 HD13 LEU A 394 -1.201 -2.183 4.556 1.00 0.35 H new ATOM 0 HD21 LEU A 394 -2.231 -0.594 2.117 1.00 0.24 H new ATOM 0 HD22 LEU A 394 -2.837 -0.391 3.778 1.00 0.24 H new ATOM 0 HD23 LEU A 394 -2.212 1.013 2.881 1.00 0.24 H new ATOM 1096 N ARG A 395 0.886 2.617 6.819 1.00 0.20 N ATOM 1097 CA ARG A 395 1.011 3.130 8.178 1.00 0.26 C ATOM 1098 C ARG A 395 0.371 4.510 8.309 1.00 0.21 C ATOM 1099 O ARG A 395 -0.254 4.824 9.321 1.00 0.22 O ATOM 1100 CB ARG A 395 2.488 3.202 8.573 1.00 0.36 C ATOM 1101 CG ARG A 395 2.713 3.125 10.071 1.00 0.94 C ATOM 1102 CD ARG A 395 2.311 1.763 10.606 1.00 0.94 C ATOM 1103 NE ARG A 395 2.339 1.708 12.067 1.00 1.59 N ATOM 1104 CZ ARG A 395 2.321 0.574 12.769 1.00 1.91 C ATOM 1105 NH1 ARG A 395 2.327 -0.599 12.141 1.00 1.87 N ATOM 1106 NH2 ARG A 395 2.316 0.611 14.096 1.00 2.78 N ATOM 0 H ARG A 395 1.772 2.333 6.401 1.00 0.20 H new ATOM 0 HA ARG A 395 0.487 2.448 8.848 1.00 0.26 H new ATOM 0 HB2 ARG A 395 3.026 2.387 8.089 1.00 0.36 H new ATOM 0 HB3 ARG A 395 2.913 4.132 8.196 1.00 0.36 H new ATOM 0 HG2 ARG A 395 3.763 3.314 10.296 1.00 0.94 H new ATOM 0 HG3 ARG A 395 2.135 3.902 10.571 1.00 0.94 H new ATOM 0 HD2 ARG A 395 1.308 1.519 10.255 1.00 0.94 H new ATOM 0 HD3 ARG A 395 2.983 1.005 10.204 1.00 0.94 H new ATOM 0 HE ARG A 395 2.374 2.589 12.580 1.00 1.59 H new ATOM 0 HH11 ARG A 395 2.345 -0.632 11.122 1.00 1.87 H new ATOM 0 HH12 ARG A 395 2.313 -1.466 12.679 1.00 1.87 H new ATOM 0 HH21 ARG A 395 2.326 1.508 14.581 1.00 2.78 H new ATOM 0 HH22 ARG A 395 2.302 -0.258 14.630 1.00 2.78 H new ATOM 1120 N HIS A 396 0.515 5.319 7.269 1.00 0.20 N ATOM 1121 CA HIS A 396 -0.034 6.663 7.264 1.00 0.19 C ATOM 1122 C HIS A 396 -1.543 6.614 7.107 1.00 0.16 C ATOM 1123 O HIS A 396 -2.267 7.398 7.722 1.00 0.22 O ATOM 1124 CB HIS A 396 0.613 7.489 6.148 1.00 0.24 C ATOM 1125 CG HIS A 396 2.101 7.578 6.298 1.00 0.58 C ATOM 1126 ND1 HIS A 396 2.692 8.561 7.060 1.00 1.29 N ATOM 1127 CD2 HIS A 396 3.060 6.756 5.813 1.00 0.53 C ATOM 1128 CE1 HIS A 396 3.989 8.308 7.023 1.00 1.63 C ATOM 1129 NE2 HIS A 396 4.258 7.226 6.283 1.00 1.17 N ATOM 0 H HIS A 396 1.010 5.064 6.415 1.00 0.20 H new ATOM 0 HA HIS A 396 0.188 7.144 8.216 1.00 0.19 H new ATOM 0 HB2 HIS A 396 0.373 7.043 5.183 1.00 0.24 H new ATOM 0 HB3 HIS A 396 0.189 8.493 6.149 1.00 0.24 H new ATOM 0 HD2 HIS A 396 2.910 5.895 5.178 1.00 0.53 H new ATOM 0 HE1 HIS A 396 4.738 8.901 7.527 1.00 1.63 H new ATOM 0 HE2 HIS A 396 5.179 6.827 6.103 1.00 1.17 H new ATOM 1137 N TYR A 397 -2.016 5.638 6.340 1.00 0.15 N ATOM 1138 CA TYR A 397 -3.433 5.533 6.005 1.00 0.15 C ATOM 1139 C TYR A 397 -4.251 5.203 7.243 1.00 0.18 C ATOM 1140 O TYR A 397 -5.439 5.522 7.317 1.00 0.19 O ATOM 1141 CB TYR A 397 -3.668 4.465 4.927 1.00 0.18 C ATOM 1142 CG TYR A 397 -2.994 4.760 3.600 1.00 0.16 C ATOM 1143 CD1 TYR A 397 -1.960 5.682 3.496 1.00 0.20 C ATOM 1144 CD2 TYR A 397 -3.395 4.107 2.447 1.00 0.26 C ATOM 1145 CE1 TYR A 397 -1.353 5.946 2.294 1.00 0.22 C ATOM 1146 CE2 TYR A 397 -2.791 4.363 1.239 1.00 0.32 C ATOM 1147 CZ TYR A 397 -1.769 5.287 1.166 1.00 0.25 C ATOM 1148 OH TYR A 397 -1.172 5.566 -0.039 1.00 0.35 O ATOM 0 H TYR A 397 -1.435 4.903 5.936 1.00 0.15 H new ATOM 0 HA TYR A 397 -3.754 6.498 5.613 1.00 0.15 H new ATOM 0 HB2 TYR A 397 -3.309 3.505 5.298 1.00 0.18 H new ATOM 0 HB3 TYR A 397 -4.740 4.362 4.762 1.00 0.18 H new ATOM 0 HD1 TYR A 397 -1.626 6.203 4.381 1.00 0.20 H new ATOM 0 HD2 TYR A 397 -4.196 3.384 2.497 1.00 0.26 H new ATOM 0 HE1 TYR A 397 -0.552 6.669 2.237 1.00 0.22 H new ATOM 0 HE2 TYR A 397 -3.115 3.843 0.350 1.00 0.32 H new ATOM 0 HH TYR A 397 -0.242 5.836 0.111 1.00 0.35 H new ATOM 1158 N TYR A 398 -3.602 4.564 8.213 1.00 0.24 N ATOM 1159 CA TYR A 398 -4.234 4.250 9.486 1.00 0.29 C ATOM 1160 C TYR A 398 -4.611 5.528 10.214 1.00 0.31 C ATOM 1161 O TYR A 398 -5.682 5.634 10.812 1.00 0.39 O ATOM 1162 CB TYR A 398 -3.291 3.415 10.357 1.00 0.33 C ATOM 1163 CG TYR A 398 -2.906 2.102 9.723 1.00 0.35 C ATOM 1164 CD1 TYR A 398 -3.828 1.386 8.982 1.00 0.41 C ATOM 1165 CD2 TYR A 398 -1.626 1.586 9.855 1.00 0.43 C ATOM 1166 CE1 TYR A 398 -3.494 0.192 8.387 1.00 0.48 C ATOM 1167 CE2 TYR A 398 -1.279 0.385 9.260 1.00 0.49 C ATOM 1168 CZ TYR A 398 -2.218 -0.307 8.527 1.00 0.50 C ATOM 1169 OH TYR A 398 -1.885 -1.504 7.933 1.00 0.60 O ATOM 0 H TYR A 398 -2.633 4.253 8.138 1.00 0.24 H new ATOM 0 HA TYR A 398 -5.138 3.673 9.290 1.00 0.29 H new ATOM 0 HB2 TYR A 398 -2.389 3.991 10.561 1.00 0.33 H new ATOM 0 HB3 TYR A 398 -3.769 3.221 11.317 1.00 0.33 H new ATOM 0 HD1 TYR A 398 -4.830 1.772 8.868 1.00 0.41 H new ATOM 0 HD2 TYR A 398 -0.890 2.128 10.430 1.00 0.43 H new ATOM 0 HE1 TYR A 398 -4.229 -0.352 7.812 1.00 0.48 H new ATOM 0 HE2 TYR A 398 -0.279 -0.007 9.370 1.00 0.49 H new ATOM 0 HH TYR A 398 -0.948 -1.715 8.126 1.00 0.60 H new ATOM 1179 N LYS A 399 -3.730 6.509 10.129 1.00 0.28 N ATOM 1180 CA LYS A 399 -3.893 7.753 10.857 1.00 0.32 C ATOM 1181 C LYS A 399 -4.840 8.684 10.114 1.00 0.29 C ATOM 1182 O LYS A 399 -5.529 9.506 10.717 1.00 0.31 O ATOM 1183 CB LYS A 399 -2.530 8.413 11.049 1.00 0.37 C ATOM 1184 CG LYS A 399 -1.454 7.439 11.519 1.00 0.53 C ATOM 1185 CD LYS A 399 -1.935 6.578 12.680 1.00 0.68 C ATOM 1186 CE LYS A 399 -2.310 7.416 13.896 1.00 1.31 C ATOM 1187 NZ LYS A 399 -1.129 8.088 14.498 1.00 1.98 N ATOM 0 H LYS A 399 -2.887 6.466 9.557 1.00 0.28 H new ATOM 0 HA LYS A 399 -4.326 7.542 11.835 1.00 0.32 H new ATOM 0 HB2 LYS A 399 -2.216 8.865 10.108 1.00 0.37 H new ATOM 0 HB3 LYS A 399 -2.623 9.220 11.775 1.00 0.37 H new ATOM 0 HG2 LYS A 399 -1.158 6.797 10.689 1.00 0.53 H new ATOM 0 HG3 LYS A 399 -0.568 7.996 11.823 1.00 0.53 H new ATOM 0 HD2 LYS A 399 -2.798 5.992 12.364 1.00 0.68 H new ATOM 0 HD3 LYS A 399 -1.153 5.870 12.955 1.00 0.68 H new ATOM 0 HE2 LYS A 399 -3.045 8.167 13.606 1.00 1.31 H new ATOM 0 HE3 LYS A 399 -2.784 6.779 14.643 1.00 1.31 H new ATOM 0 HZ1 LYS A 399 -1.415 8.578 15.370 1.00 1.98 H new ATOM 0 HZ2 LYS A 399 -0.402 7.378 14.722 1.00 1.98 H new ATOM 0 HZ3 LYS A 399 -0.742 8.779 13.824 1.00 1.98 H new ATOM 1201 N LEU A 400 -4.868 8.535 8.800 1.00 0.25 N ATOM 1202 CA LEU A 400 -5.755 9.313 7.949 1.00 0.23 C ATOM 1203 C LEU A 400 -7.171 8.758 8.001 1.00 0.22 C ATOM 1204 O LEU A 400 -8.107 9.356 7.476 1.00 0.26 O ATOM 1205 CB LEU A 400 -5.247 9.260 6.520 1.00 0.22 C ATOM 1206 CG LEU A 400 -3.766 9.559 6.363 1.00 0.25 C ATOM 1207 CD1 LEU A 400 -3.212 8.853 5.151 1.00 0.23 C ATOM 1208 CD2 LEU A 400 -3.542 11.042 6.237 1.00 0.36 C ATOM 0 H LEU A 400 -4.279 7.874 8.294 1.00 0.25 H new ATOM 0 HA LEU A 400 -5.770 10.343 8.305 1.00 0.23 H new ATOM 0 HB2 LEU A 400 -5.449 8.269 6.113 1.00 0.22 H new ATOM 0 HB3 LEU A 400 -5.813 9.973 5.920 1.00 0.22 H new ATOM 0 HG LEU A 400 -3.247 9.197 7.250 1.00 0.25 H new ATOM 0 HD11 LEU A 400 -2.150 9.078 5.053 1.00 0.23 H new ATOM 0 HD12 LEU A 400 -3.346 7.777 5.263 1.00 0.23 H new ATOM 0 HD13 LEU A 400 -3.739 9.193 4.259 1.00 0.23 H new ATOM 0 HD21 LEU A 400 -2.476 11.241 6.125 1.00 0.36 H new ATOM 0 HD22 LEU A 400 -4.075 11.418 5.363 1.00 0.36 H new ATOM 0 HD23 LEU A 400 -3.913 11.543 7.131 1.00 0.36 H new ATOM 1220 N ASN A 401 -7.298 7.588 8.631 1.00 0.22 N ATOM 1221 CA ASN A 401 -8.563 6.861 8.716 1.00 0.24 C ATOM 1222 C ASN A 401 -9.045 6.466 7.327 1.00 0.19 C ATOM 1223 O ASN A 401 -10.242 6.441 7.046 1.00 0.23 O ATOM 1224 CB ASN A 401 -9.634 7.680 9.443 1.00 0.33 C ATOM 1225 CG ASN A 401 -9.505 7.630 10.958 1.00 1.01 C ATOM 1226 OD1 ASN A 401 -10.501 7.705 11.676 1.00 1.77 O ATOM 1227 ND2 ASN A 401 -8.284 7.517 11.454 1.00 1.24 N ATOM 0 H ASN A 401 -6.522 7.118 9.098 1.00 0.22 H new ATOM 0 HA ASN A 401 -8.387 5.956 9.297 1.00 0.24 H new ATOM 0 HB2 ASN A 401 -9.573 8.717 9.114 1.00 0.33 H new ATOM 0 HB3 ASN A 401 -10.619 7.312 9.157 1.00 0.33 H new ATOM 0 HD21 ASN A 401 -8.144 7.489 12.464 1.00 1.24 H new ATOM 0 HD22 ASN A 401 -7.482 7.457 10.826 1.00 1.24 H new ATOM 1234 N ILE A 402 -8.092 6.195 6.452 1.00 0.15 N ATOM 1235 CA ILE A 402 -8.383 5.691 5.119 1.00 0.13 C ATOM 1236 C ILE A 402 -8.592 4.194 5.185 1.00 0.13 C ATOM 1237 O ILE A 402 -9.591 3.662 4.702 1.00 0.15 O ATOM 1238 CB ILE A 402 -7.220 5.997 4.155 1.00 0.12 C ATOM 1239 CG1 ILE A 402 -7.054 7.508 4.021 1.00 0.13 C ATOM 1240 CG2 ILE A 402 -7.438 5.341 2.791 1.00 0.15 C ATOM 1241 CD1 ILE A 402 -5.799 7.912 3.286 1.00 0.14 C ATOM 0 H ILE A 402 -7.098 6.317 6.644 1.00 0.15 H new ATOM 0 HA ILE A 402 -9.284 6.181 4.750 1.00 0.13 H new ATOM 0 HB ILE A 402 -6.303 5.575 4.567 1.00 0.12 H new ATOM 0 HG12 ILE A 402 -7.919 7.916 3.498 1.00 0.13 H new ATOM 0 HG13 ILE A 402 -7.043 7.954 5.015 1.00 0.13 H new ATOM 0 HG21 ILE A 402 -6.600 5.577 2.136 1.00 0.15 H new ATOM 0 HG22 ILE A 402 -7.509 4.260 2.914 1.00 0.15 H new ATOM 0 HG23 ILE A 402 -8.361 5.717 2.350 1.00 0.15 H new ATOM 0 HD11 ILE A 402 -5.746 8.999 3.228 1.00 0.14 H new ATOM 0 HD12 ILE A 402 -4.927 7.534 3.820 1.00 0.14 H new ATOM 0 HD13 ILE A 402 -5.817 7.495 2.279 1.00 0.14 H new ATOM 1253 N ILE A 403 -7.644 3.533 5.818 1.00 0.14 N ATOM 1254 CA ILE A 403 -7.648 2.093 5.930 1.00 0.14 C ATOM 1255 C ILE A 403 -7.438 1.690 7.376 1.00 0.17 C ATOM 1256 O ILE A 403 -6.517 2.173 8.029 1.00 0.26 O ATOM 1257 CB ILE A 403 -6.535 1.472 5.057 1.00 0.16 C ATOM 1258 CG1 ILE A 403 -6.803 1.746 3.576 1.00 0.16 C ATOM 1259 CG2 ILE A 403 -6.414 -0.022 5.313 1.00 0.18 C ATOM 1260 CD1 ILE A 403 -5.643 1.385 2.675 1.00 0.20 C ATOM 0 H ILE A 403 -6.848 3.983 6.270 1.00 0.14 H new ATOM 0 HA ILE A 403 -8.613 1.725 5.581 1.00 0.14 H new ATOM 0 HB ILE A 403 -5.588 1.938 5.329 1.00 0.16 H new ATOM 0 HG12 ILE A 403 -7.683 1.184 3.264 1.00 0.16 H new ATOM 0 HG13 ILE A 403 -7.038 2.803 3.447 1.00 0.16 H new ATOM 0 HG21 ILE A 403 -5.624 -0.436 4.686 1.00 0.18 H new ATOM 0 HG22 ILE A 403 -6.172 -0.193 6.362 1.00 0.18 H new ATOM 0 HG23 ILE A 403 -7.359 -0.510 5.074 1.00 0.18 H new ATOM 0 HD11 ILE A 403 -5.904 1.606 1.640 1.00 0.20 H new ATOM 0 HD12 ILE A 403 -4.766 1.966 2.960 1.00 0.20 H new ATOM 0 HD13 ILE A 403 -5.422 0.322 2.775 1.00 0.20 H new ATOM 1272 N ARG A 404 -8.304 0.835 7.879 1.00 0.14 N ATOM 1273 CA ARG A 404 -8.128 0.285 9.208 1.00 0.18 C ATOM 1274 C ARG A 404 -8.337 -1.218 9.172 1.00 0.20 C ATOM 1275 O ARG A 404 -9.046 -1.732 8.314 1.00 0.28 O ATOM 1276 CB ARG A 404 -9.077 0.937 10.217 1.00 0.27 C ATOM 1277 CG ARG A 404 -10.543 0.767 9.908 1.00 0.45 C ATOM 1278 CD ARG A 404 -11.362 0.884 11.175 1.00 0.76 C ATOM 1279 NE ARG A 404 -12.796 1.032 10.920 1.00 1.16 N ATOM 1280 CZ ARG A 404 -13.714 0.139 11.296 1.00 1.23 C ATOM 1281 NH1 ARG A 404 -13.343 -1.032 11.793 1.00 1.04 N ATOM 1282 NH2 ARG A 404 -15.005 0.408 11.156 1.00 2.08 N ATOM 0 H ARG A 404 -9.136 0.506 7.389 1.00 0.14 H new ATOM 0 HA ARG A 404 -7.110 0.499 9.534 1.00 0.18 H new ATOM 0 HB2 ARG A 404 -8.877 0.520 11.204 1.00 0.27 H new ATOM 0 HB3 ARG A 404 -8.852 2.002 10.270 1.00 0.27 H new ATOM 0 HG2 ARG A 404 -10.861 1.523 9.190 1.00 0.45 H new ATOM 0 HG3 ARG A 404 -10.714 -0.205 9.444 1.00 0.45 H new ATOM 0 HD2 ARG A 404 -11.198 -0.001 11.790 1.00 0.76 H new ATOM 0 HD3 ARG A 404 -11.011 1.741 11.750 1.00 0.76 H new ATOM 0 HE ARG A 404 -13.112 1.867 10.426 1.00 1.16 H new ATOM 0 HH11 ARG A 404 -12.352 -1.254 11.890 1.00 1.04 H new ATOM 0 HH12 ARG A 404 -14.048 -1.711 12.079 1.00 1.04 H new ATOM 0 HH21 ARG A 404 -15.300 1.300 10.760 1.00 2.08 H new ATOM 0 HH22 ARG A 404 -15.703 -0.277 11.445 1.00 2.08 H new ATOM 1296 N LYS A 405 -7.687 -1.914 10.085 1.00 0.24 N ATOM 1297 CA LYS A 405 -7.794 -3.361 10.169 1.00 0.26 C ATOM 1298 C LYS A 405 -9.083 -3.759 10.860 1.00 0.27 C ATOM 1299 O LYS A 405 -9.389 -3.263 11.948 1.00 0.34 O ATOM 1300 CB LYS A 405 -6.598 -3.922 10.939 1.00 0.31 C ATOM 1301 CG LYS A 405 -5.300 -3.865 10.160 1.00 0.58 C ATOM 1302 CD LYS A 405 -4.093 -4.008 11.066 1.00 0.69 C ATOM 1303 CE LYS A 405 -4.119 -5.294 11.863 1.00 1.31 C ATOM 1304 NZ LYS A 405 -3.884 -6.496 11.021 1.00 1.73 N ATOM 0 H LYS A 405 -7.074 -1.498 10.786 1.00 0.24 H new ATOM 0 HA LYS A 405 -7.800 -3.771 9.159 1.00 0.26 H new ATOM 0 HB2 LYS A 405 -6.480 -3.365 11.868 1.00 0.31 H new ATOM 0 HB3 LYS A 405 -6.804 -4.957 11.212 1.00 0.31 H new ATOM 0 HG2 LYS A 405 -5.290 -4.658 9.413 1.00 0.58 H new ATOM 0 HG3 LYS A 405 -5.240 -2.919 9.622 1.00 0.58 H new ATOM 0 HD2 LYS A 405 -3.185 -3.975 10.464 1.00 0.69 H new ATOM 0 HD3 LYS A 405 -4.053 -3.160 11.750 1.00 0.69 H new ATOM 0 HE2 LYS A 405 -3.360 -5.248 12.644 1.00 1.31 H new ATOM 0 HE3 LYS A 405 -5.084 -5.388 12.362 1.00 1.31 H new ATOM 0 HZ1 LYS A 405 -3.577 -7.287 11.623 1.00 1.73 H new ATOM 0 HZ2 LYS A 405 -4.764 -6.754 10.531 1.00 1.73 H new ATOM 0 HZ3 LYS A 405 -3.145 -6.289 10.319 1.00 1.73 H new ATOM 1318 N GLU A 406 -9.843 -4.641 10.224 1.00 0.26 N ATOM 1319 CA GLU A 406 -11.054 -5.164 10.823 1.00 0.27 C ATOM 1320 C GLU A 406 -10.748 -5.906 12.126 1.00 0.29 C ATOM 1321 O GLU A 406 -9.659 -6.463 12.299 1.00 0.33 O ATOM 1322 CB GLU A 406 -11.778 -6.055 9.846 1.00 0.26 C ATOM 1323 CG GLU A 406 -12.581 -5.263 8.841 1.00 0.28 C ATOM 1324 CD GLU A 406 -13.291 -4.061 9.447 1.00 0.56 C ATOM 1325 OE1 GLU A 406 -12.649 -2.994 9.569 1.00 0.81 O ATOM 1326 OE2 GLU A 406 -14.479 -4.176 9.806 1.00 0.84 O ATOM 0 H GLU A 406 -9.639 -5.006 9.294 1.00 0.26 H new ATOM 0 HA GLU A 406 -11.706 -4.326 11.069 1.00 0.27 H new ATOM 0 HB2 GLU A 406 -11.055 -6.679 9.321 1.00 0.26 H new ATOM 0 HB3 GLU A 406 -12.441 -6.726 10.391 1.00 0.26 H new ATOM 0 HG2 GLU A 406 -11.918 -4.921 8.046 1.00 0.28 H new ATOM 0 HG3 GLU A 406 -13.320 -5.918 8.380 1.00 0.28 H new ATOM 1333 N PRO A 407 -11.707 -5.901 13.066 1.00 0.34 N ATOM 1334 CA PRO A 407 -11.518 -6.446 14.419 1.00 0.38 C ATOM 1335 C PRO A 407 -11.184 -7.938 14.432 1.00 0.41 C ATOM 1336 O PRO A 407 -12.010 -8.776 14.069 1.00 0.44 O ATOM 1337 CB PRO A 407 -12.878 -6.191 15.084 1.00 0.43 C ATOM 1338 CG PRO A 407 -13.834 -6.084 13.951 1.00 0.48 C ATOM 1339 CD PRO A 407 -13.068 -5.370 12.885 1.00 0.45 C ATOM 0 HA PRO A 407 -10.673 -5.980 14.926 1.00 0.38 H new ATOM 0 HB2 PRO A 407 -13.149 -7.005 15.756 1.00 0.43 H new ATOM 0 HB3 PRO A 407 -12.864 -5.278 15.679 1.00 0.43 H new ATOM 0 HG2 PRO A 407 -14.162 -7.067 13.614 1.00 0.48 H new ATOM 0 HG3 PRO A 407 -14.728 -5.530 14.237 1.00 0.48 H new ATOM 0 HD2 PRO A 407 -13.459 -5.585 11.890 1.00 0.45 H new ATOM 0 HD3 PRO A 407 -13.103 -4.288 13.015 1.00 0.45 H new ATOM 1347 N GLY A 408 -9.965 -8.258 14.858 1.00 0.51 N ATOM 1348 CA GLY A 408 -9.543 -9.646 14.949 1.00 0.60 C ATOM 1349 C GLY A 408 -9.117 -10.222 13.614 1.00 0.56 C ATOM 1350 O GLY A 408 -8.898 -11.427 13.490 1.00 0.66 O ATOM 0 H GLY A 408 -9.260 -7.579 15.143 1.00 0.51 H new ATOM 0 HA2 GLY A 408 -8.715 -9.723 15.653 1.00 0.60 H new ATOM 0 HA3 GLY A 408 -10.361 -10.243 15.352 1.00 0.60 H new ATOM 1354 N GLN A 409 -8.993 -9.366 12.615 1.00 0.53 N ATOM 1355 CA GLN A 409 -8.638 -9.798 11.276 1.00 0.52 C ATOM 1356 C GLN A 409 -7.135 -9.726 11.043 1.00 0.48 C ATOM 1357 O GLN A 409 -6.430 -8.955 11.693 1.00 0.62 O ATOM 1358 CB GLN A 409 -9.337 -8.927 10.242 1.00 0.67 C ATOM 1359 CG GLN A 409 -10.805 -9.251 10.016 1.00 0.77 C ATOM 1360 CD GLN A 409 -11.024 -10.633 9.462 1.00 0.90 C ATOM 1361 OE1 GLN A 409 -10.125 -11.232 8.867 1.00 1.81 O ATOM 1362 NE2 GLN A 409 -12.243 -11.108 9.578 1.00 1.10 N ATOM 0 H GLN A 409 -9.134 -8.360 12.708 1.00 0.53 H new ATOM 0 HA GLN A 409 -8.958 -10.835 11.174 1.00 0.52 H new ATOM 0 HB2 GLN A 409 -9.254 -7.885 10.551 1.00 0.67 H new ATOM 0 HB3 GLN A 409 -8.809 -9.021 9.293 1.00 0.67 H new ATOM 0 HG2 GLN A 409 -11.342 -9.155 10.960 1.00 0.77 H new ATOM 0 HG3 GLN A 409 -11.232 -8.519 9.330 1.00 0.77 H new ATOM 0 HE21 GLN A 409 -12.953 -10.574 10.080 1.00 1.10 H new ATOM 0 HE22 GLN A 409 -12.480 -12.010 9.166 1.00 1.10 H new ATOM 1371 N ARG A 410 -6.656 -10.531 10.104 1.00 0.44 N ATOM 1372 CA ARG A 410 -5.260 -10.473 9.685 1.00 0.41 C ATOM 1373 C ARG A 410 -5.029 -9.306 8.726 1.00 0.34 C ATOM 1374 O ARG A 410 -5.001 -8.146 9.135 1.00 0.49 O ATOM 1375 CB ARG A 410 -4.806 -11.796 9.032 1.00 0.45 C ATOM 1376 CG ARG A 410 -5.930 -12.760 8.632 1.00 0.57 C ATOM 1377 CD ARG A 410 -6.819 -12.226 7.504 1.00 0.62 C ATOM 1378 NE ARG A 410 -6.088 -12.013 6.250 1.00 0.96 N ATOM 1379 CZ ARG A 410 -5.854 -12.970 5.350 1.00 1.65 C ATOM 1380 NH1 ARG A 410 -6.282 -14.208 5.561 1.00 2.14 N ATOM 1381 NH2 ARG A 410 -5.192 -12.684 4.236 1.00 2.29 N ATOM 0 H ARG A 410 -7.213 -11.233 9.617 1.00 0.44 H new ATOM 0 HA ARG A 410 -4.659 -10.317 10.581 1.00 0.41 H new ATOM 0 HB2 ARG A 410 -4.222 -11.559 8.143 1.00 0.45 H new ATOM 0 HB3 ARG A 410 -4.139 -12.311 9.724 1.00 0.45 H new ATOM 0 HG2 ARG A 410 -5.491 -13.708 8.321 1.00 0.57 H new ATOM 0 HG3 ARG A 410 -6.549 -12.967 9.505 1.00 0.57 H new ATOM 0 HD2 ARG A 410 -7.634 -12.928 7.328 1.00 0.62 H new ATOM 0 HD3 ARG A 410 -7.271 -11.285 7.819 1.00 0.62 H new ATOM 0 HE ARG A 410 -5.737 -11.076 6.054 1.00 0.96 H new ATOM 0 HH11 ARG A 410 -6.793 -14.432 6.415 1.00 2.14 H new ATOM 0 HH12 ARG A 410 -6.100 -14.935 4.869 1.00 2.14 H new ATOM 0 HH21 ARG A 410 -4.863 -11.733 4.068 1.00 2.29 H new ATOM 0 HH22 ARG A 410 -5.013 -13.415 3.547 1.00 2.29 H new ATOM 1395 N LEU A 411 -4.899 -9.617 7.445 1.00 0.21 N ATOM 1396 CA LEU A 411 -4.736 -8.595 6.420 1.00 0.15 C ATOM 1397 C LEU A 411 -6.093 -8.175 5.877 1.00 0.11 C ATOM 1398 O LEU A 411 -6.231 -7.824 4.706 1.00 0.12 O ATOM 1399 CB LEU A 411 -3.824 -9.067 5.285 1.00 0.14 C ATOM 1400 CG LEU A 411 -2.361 -9.260 5.675 1.00 0.17 C ATOM 1401 CD1 LEU A 411 -1.902 -10.678 5.372 1.00 0.20 C ATOM 1402 CD2 LEU A 411 -1.500 -8.252 4.939 1.00 0.16 C ATOM 0 H LEU A 411 -4.903 -10.573 7.089 1.00 0.21 H new ATOM 0 HA LEU A 411 -4.256 -7.733 6.884 1.00 0.15 H new ATOM 0 HB2 LEU A 411 -4.209 -10.010 4.897 1.00 0.14 H new ATOM 0 HB3 LEU A 411 -3.876 -8.343 4.472 1.00 0.14 H new ATOM 0 HG LEU A 411 -2.260 -9.099 6.748 1.00 0.17 H new ATOM 0 HD11 LEU A 411 -0.856 -10.791 5.659 1.00 0.20 H new ATOM 0 HD12 LEU A 411 -2.511 -11.386 5.935 1.00 0.20 H new ATOM 0 HD13 LEU A 411 -2.009 -10.875 4.305 1.00 0.20 H new ATOM 0 HD21 LEU A 411 -0.456 -8.392 5.219 1.00 0.16 H new ATOM 0 HD22 LEU A 411 -1.610 -8.396 3.864 1.00 0.16 H new ATOM 0 HD23 LEU A 411 -1.815 -7.243 5.204 1.00 0.16 H new ATOM 1414 N LEU A 412 -7.100 -8.268 6.729 1.00 0.12 N ATOM 1415 CA LEU A 412 -8.426 -7.802 6.389 1.00 0.10 C ATOM 1416 C LEU A 412 -8.581 -6.373 6.839 1.00 0.09 C ATOM 1417 O LEU A 412 -8.485 -6.062 8.027 1.00 0.10 O ATOM 1418 CB LEU A 412 -9.483 -8.667 7.046 1.00 0.12 C ATOM 1419 CG LEU A 412 -10.619 -9.110 6.148 1.00 0.13 C ATOM 1420 CD1 LEU A 412 -10.938 -8.035 5.144 1.00 0.12 C ATOM 1421 CD2 LEU A 412 -10.253 -10.410 5.470 1.00 0.15 C ATOM 0 H LEU A 412 -7.020 -8.665 7.665 1.00 0.12 H new ATOM 0 HA LEU A 412 -8.556 -7.864 5.309 1.00 0.10 H new ATOM 0 HB2 LEU A 412 -8.999 -9.555 7.453 1.00 0.12 H new ATOM 0 HB3 LEU A 412 -9.903 -8.118 7.889 1.00 0.12 H new ATOM 0 HG LEU A 412 -11.514 -9.278 6.747 1.00 0.13 H new ATOM 0 HD11 LEU A 412 -11.756 -8.366 4.504 1.00 0.12 H new ATOM 0 HD12 LEU A 412 -11.231 -7.124 5.667 1.00 0.12 H new ATOM 0 HD13 LEU A 412 -10.058 -7.835 4.533 1.00 0.12 H new ATOM 0 HD21 LEU A 412 -11.072 -10.727 4.824 1.00 0.15 H new ATOM 0 HD22 LEU A 412 -9.353 -10.267 4.871 1.00 0.15 H new ATOM 0 HD23 LEU A 412 -10.069 -11.175 6.225 1.00 0.15 H new ATOM 1433 N PHE A 413 -8.822 -5.516 5.882 1.00 0.09 N ATOM 1434 CA PHE A 413 -8.796 -4.088 6.123 1.00 0.10 C ATOM 1435 C PHE A 413 -10.096 -3.464 5.672 1.00 0.09 C ATOM 1436 O PHE A 413 -10.967 -4.141 5.123 1.00 0.10 O ATOM 1437 CB PHE A 413 -7.634 -3.421 5.382 1.00 0.12 C ATOM 1438 CG PHE A 413 -6.292 -4.070 5.579 1.00 0.11 C ATOM 1439 CD1 PHE A 413 -5.991 -4.767 6.735 1.00 0.12 C ATOM 1440 CD2 PHE A 413 -5.330 -3.979 4.592 1.00 0.12 C ATOM 1441 CE1 PHE A 413 -4.758 -5.361 6.905 1.00 0.13 C ATOM 1442 CE2 PHE A 413 -4.096 -4.569 4.755 1.00 0.13 C ATOM 1443 CZ PHE A 413 -3.808 -5.261 5.914 1.00 0.14 C ATOM 0 H PHE A 413 -9.040 -5.779 4.921 1.00 0.09 H new ATOM 0 HA PHE A 413 -8.661 -3.933 7.193 1.00 0.10 H new ATOM 0 HB2 PHE A 413 -7.862 -3.411 4.316 1.00 0.12 H new ATOM 0 HB3 PHE A 413 -7.568 -2.382 5.704 1.00 0.12 H new ATOM 0 HD1 PHE A 413 -6.732 -4.847 7.516 1.00 0.12 H new ATOM 0 HD2 PHE A 413 -5.548 -3.439 3.682 1.00 0.12 H new ATOM 0 HE1 PHE A 413 -4.538 -5.903 7.813 1.00 0.13 H new ATOM 0 HE2 PHE A 413 -3.353 -4.490 3.975 1.00 0.13 H new ATOM 0 HZ PHE A 413 -2.840 -5.723 6.043 1.00 0.14 H new ATOM 1453 N ARG A 414 -10.209 -2.169 5.880 1.00 0.11 N ATOM 1454 CA ARG A 414 -11.426 -1.457 5.579 1.00 0.10 C ATOM 1455 C ARG A 414 -11.129 -0.071 5.033 1.00 0.09 C ATOM 1456 O ARG A 414 -10.445 0.726 5.678 1.00 0.12 O ATOM 1457 CB ARG A 414 -12.264 -1.345 6.845 1.00 0.16 C ATOM 1458 CG ARG A 414 -13.552 -0.571 6.660 1.00 0.22 C ATOM 1459 CD ARG A 414 -14.394 -0.605 7.921 1.00 0.35 C ATOM 1460 NE ARG A 414 -15.673 0.073 7.742 1.00 0.99 N ATOM 1461 CZ ARG A 414 -16.793 -0.271 8.375 1.00 1.11 C ATOM 1462 NH1 ARG A 414 -16.793 -1.296 9.223 1.00 1.13 N ATOM 1463 NH2 ARG A 414 -17.913 0.402 8.151 1.00 2.09 N ATOM 0 H ARG A 414 -9.463 -1.586 6.260 1.00 0.11 H new ATOM 0 HA ARG A 414 -11.974 -2.009 4.816 1.00 0.10 H new ATOM 0 HB2 ARG A 414 -12.502 -2.347 7.202 1.00 0.16 H new ATOM 0 HB3 ARG A 414 -11.670 -0.863 7.621 1.00 0.16 H new ATOM 0 HG2 ARG A 414 -13.325 0.462 6.398 1.00 0.22 H new ATOM 0 HG3 ARG A 414 -14.118 -0.993 5.829 1.00 0.22 H new ATOM 0 HD2 ARG A 414 -14.570 -1.641 8.212 1.00 0.35 H new ATOM 0 HD3 ARG A 414 -13.845 -0.134 8.736 1.00 0.35 H new ATOM 0 HE ARG A 414 -15.712 0.858 7.092 1.00 0.99 H new ATOM 0 HH11 ARG A 414 -15.934 -1.820 9.389 1.00 1.13 H new ATOM 0 HH12 ARG A 414 -17.652 -1.558 9.707 1.00 1.13 H new ATOM 0 HH21 ARG A 414 -17.916 1.182 7.494 1.00 2.09 H new ATOM 0 HH22 ARG A 414 -18.771 0.139 8.635 1.00 2.09 H new ATOM 1477 N PHE A 415 -11.634 0.202 3.842 1.00 0.10 N ATOM 1478 CA PHE A 415 -11.585 1.540 3.280 1.00 0.11 C ATOM 1479 C PHE A 415 -12.689 2.386 3.899 1.00 0.12 C ATOM 1480 O PHE A 415 -13.834 2.350 3.451 1.00 0.18 O ATOM 1481 CB PHE A 415 -11.745 1.512 1.755 1.00 0.14 C ATOM 1482 CG PHE A 415 -10.478 1.210 0.998 1.00 0.15 C ATOM 1483 CD1 PHE A 415 -9.503 2.182 0.853 1.00 0.17 C ATOM 1484 CD2 PHE A 415 -10.272 -0.033 0.416 1.00 0.17 C ATOM 1485 CE1 PHE A 415 -8.347 1.925 0.150 1.00 0.20 C ATOM 1486 CE2 PHE A 415 -9.111 -0.298 -0.290 1.00 0.20 C ATOM 1487 CZ PHE A 415 -8.148 0.685 -0.423 1.00 0.21 C ATOM 0 H PHE A 415 -12.085 -0.490 3.243 1.00 0.10 H new ATOM 0 HA PHE A 415 -10.611 1.973 3.507 1.00 0.11 H new ATOM 0 HB2 PHE A 415 -12.495 0.765 1.495 1.00 0.14 H new ATOM 0 HB3 PHE A 415 -12.129 2.477 1.425 1.00 0.14 H new ATOM 0 HD1 PHE A 415 -9.651 3.155 1.297 1.00 0.17 H new ATOM 0 HD2 PHE A 415 -11.025 -0.801 0.515 1.00 0.17 H new ATOM 0 HE1 PHE A 415 -7.596 2.694 0.047 1.00 0.20 H new ATOM 0 HE2 PHE A 415 -8.958 -1.270 -0.736 1.00 0.20 H new ATOM 0 HZ PHE A 415 -7.242 0.483 -0.974 1.00 0.21 H new ATOM 1497 N MET A 416 -12.352 3.125 4.945 1.00 0.14 N ATOM 1498 CA MET A 416 -13.328 3.967 5.630 1.00 0.17 C ATOM 1499 C MET A 416 -13.759 5.112 4.728 1.00 0.20 C ATOM 1500 O MET A 416 -14.861 5.648 4.859 1.00 0.29 O ATOM 1501 CB MET A 416 -12.756 4.516 6.934 1.00 0.23 C ATOM 1502 CG MET A 416 -12.496 3.450 7.981 1.00 0.30 C ATOM 1503 SD MET A 416 -11.872 4.131 9.530 1.00 1.30 S ATOM 1504 CE MET A 416 -13.211 5.231 9.986 1.00 1.23 C ATOM 0 H MET A 416 -11.412 3.161 5.340 1.00 0.14 H new ATOM 0 HA MET A 416 -14.197 3.354 5.868 1.00 0.17 H new ATOM 0 HB2 MET A 416 -11.823 5.038 6.720 1.00 0.23 H new ATOM 0 HB3 MET A 416 -13.448 5.253 7.342 1.00 0.23 H new ATOM 0 HG2 MET A 416 -13.420 2.905 8.175 1.00 0.30 H new ATOM 0 HG3 MET A 416 -11.777 2.730 7.590 1.00 0.30 H new ATOM 0 HE1 MET A 416 -13.188 5.406 11.062 1.00 1.23 H new ATOM 0 HE2 MET A 416 -13.097 6.180 9.461 1.00 1.23 H new ATOM 0 HE3 MET A 416 -14.164 4.777 9.713 1.00 1.23 H new ATOM 1514 N LYS A 417 -12.877 5.482 3.816 1.00 0.18 N ATOM 1515 CA LYS A 417 -13.179 6.493 2.825 1.00 0.21 C ATOM 1516 C LYS A 417 -12.535 6.128 1.498 1.00 0.22 C ATOM 1517 O LYS A 417 -11.532 5.415 1.452 1.00 0.26 O ATOM 1518 CB LYS A 417 -12.711 7.874 3.283 1.00 0.22 C ATOM 1519 CG LYS A 417 -11.231 7.960 3.593 1.00 0.18 C ATOM 1520 CD LYS A 417 -10.824 9.393 3.893 1.00 0.20 C ATOM 1521 CE LYS A 417 -10.110 9.522 5.226 1.00 0.36 C ATOM 1522 NZ LYS A 417 -10.953 9.060 6.361 1.00 0.61 N ATOM 0 H LYS A 417 -11.938 5.091 3.744 1.00 0.18 H new ATOM 0 HA LYS A 417 -14.261 6.533 2.697 1.00 0.21 H new ATOM 0 HB2 LYS A 417 -12.951 8.601 2.507 1.00 0.22 H new ATOM 0 HB3 LYS A 417 -13.274 8.159 4.172 1.00 0.22 H new ATOM 0 HG2 LYS A 417 -10.996 7.324 4.447 1.00 0.18 H new ATOM 0 HG3 LYS A 417 -10.655 7.583 2.747 1.00 0.18 H new ATOM 0 HD2 LYS A 417 -10.173 9.758 3.098 1.00 0.20 H new ATOM 0 HD3 LYS A 417 -11.710 10.027 3.895 1.00 0.20 H new ATOM 0 HE2 LYS A 417 -9.188 8.941 5.200 1.00 0.36 H new ATOM 0 HE3 LYS A 417 -9.827 10.562 5.386 1.00 0.36 H new ATOM 0 HZ1 LYS A 417 -10.667 9.555 7.230 1.00 0.61 H new ATOM 0 HZ2 LYS A 417 -11.952 9.267 6.158 1.00 0.61 H new ATOM 0 HZ3 LYS A 417 -10.831 8.035 6.490 1.00 0.61 H new ATOM 1536 N THR A 418 -13.127 6.626 0.434 1.00 0.24 N ATOM 1537 CA THR A 418 -12.706 6.308 -0.917 1.00 0.26 C ATOM 1538 C THR A 418 -11.811 7.410 -1.484 1.00 0.23 C ATOM 1539 O THR A 418 -11.649 8.455 -0.852 1.00 0.21 O ATOM 1540 CB THR A 418 -13.938 6.111 -1.825 1.00 0.34 C ATOM 1541 OG1 THR A 418 -14.830 7.229 -1.703 1.00 0.37 O ATOM 1542 CG2 THR A 418 -14.668 4.823 -1.473 1.00 0.40 C ATOM 0 H THR A 418 -13.919 7.267 0.480 1.00 0.24 H new ATOM 0 HA THR A 418 -12.132 5.382 -0.885 1.00 0.26 H new ATOM 0 HB THR A 418 -13.593 6.042 -2.857 1.00 0.34 H new ATOM 0 HG1 THR A 418 -15.291 7.187 -0.839 1.00 0.37 H new ATOM 0 HG21 THR A 418 -15.533 4.705 -2.126 1.00 0.40 H new ATOM 0 HG22 THR A 418 -13.995 3.976 -1.605 1.00 0.40 H new ATOM 0 HG23 THR A 418 -15.000 4.865 -0.435 1.00 0.40 H new ATOM 1550 N PRO A 419 -11.207 7.179 -2.675 1.00 0.24 N ATOM 1551 CA PRO A 419 -10.362 8.163 -3.360 1.00 0.24 C ATOM 1552 C PRO A 419 -10.906 9.576 -3.256 1.00 0.28 C ATOM 1553 O PRO A 419 -10.231 10.469 -2.753 1.00 0.28 O ATOM 1554 CB PRO A 419 -10.412 7.688 -4.807 1.00 0.29 C ATOM 1555 CG PRO A 419 -10.516 6.207 -4.704 1.00 0.30 C ATOM 1556 CD PRO A 419 -11.293 5.922 -3.444 1.00 0.28 C ATOM 0 HA PRO A 419 -9.361 8.216 -2.932 1.00 0.24 H new ATOM 0 HB2 PRO A 419 -11.266 8.111 -5.335 1.00 0.29 H new ATOM 0 HB3 PRO A 419 -9.518 7.987 -5.355 1.00 0.29 H new ATOM 0 HG2 PRO A 419 -11.023 5.792 -5.575 1.00 0.30 H new ATOM 0 HG3 PRO A 419 -9.527 5.750 -4.662 1.00 0.30 H new ATOM 0 HD2 PRO A 419 -12.328 5.660 -3.665 1.00 0.28 H new ATOM 0 HD3 PRO A 419 -10.863 5.087 -2.891 1.00 0.28 H new ATOM 1564 N ASP A 420 -12.151 9.740 -3.688 1.00 0.34 N ATOM 1565 CA ASP A 420 -12.816 11.046 -3.705 1.00 0.43 C ATOM 1566 C ASP A 420 -12.705 11.747 -2.358 1.00 0.40 C ATOM 1567 O ASP A 420 -12.396 12.940 -2.283 1.00 0.44 O ATOM 1568 CB ASP A 420 -14.292 10.874 -4.073 1.00 0.55 C ATOM 1569 CG ASP A 420 -15.106 12.131 -3.830 1.00 0.73 C ATOM 1570 OD1 ASP A 420 -14.990 13.084 -4.630 1.00 0.84 O ATOM 1571 OD2 ASP A 420 -15.877 12.164 -2.847 1.00 0.85 O ATOM 0 H ASP A 420 -12.730 8.976 -4.036 1.00 0.34 H new ATOM 0 HA ASP A 420 -12.318 11.664 -4.452 1.00 0.43 H new ATOM 0 HB2 ASP A 420 -14.370 10.593 -5.123 1.00 0.55 H new ATOM 0 HB3 ASP A 420 -14.714 10.054 -3.491 1.00 0.55 H new ATOM 1576 N GLU A 421 -12.926 10.983 -1.305 1.00 0.35 N ATOM 1577 CA GLU A 421 -12.952 11.512 0.044 1.00 0.35 C ATOM 1578 C GLU A 421 -11.552 11.903 0.515 1.00 0.32 C ATOM 1579 O GLU A 421 -11.374 12.915 1.194 1.00 0.37 O ATOM 1580 CB GLU A 421 -13.575 10.473 0.963 1.00 0.34 C ATOM 1581 CG GLU A 421 -15.018 10.188 0.595 1.00 0.42 C ATOM 1582 CD GLU A 421 -15.591 8.984 1.303 1.00 0.42 C ATOM 1583 OE1 GLU A 421 -15.424 7.860 0.791 1.00 0.38 O ATOM 1584 OE2 GLU A 421 -16.202 9.155 2.377 1.00 0.51 O ATOM 0 H GLU A 421 -13.092 9.978 -1.362 1.00 0.35 H new ATOM 0 HA GLU A 421 -13.553 12.421 0.065 1.00 0.35 H new ATOM 0 HB2 GLU A 421 -12.998 9.550 0.912 1.00 0.34 H new ATOM 0 HB3 GLU A 421 -13.525 10.823 1.994 1.00 0.34 H new ATOM 0 HG2 GLU A 421 -15.625 11.062 0.831 1.00 0.42 H new ATOM 0 HG3 GLU A 421 -15.087 10.034 -0.482 1.00 0.42 H new ATOM 1591 N ILE A 422 -10.558 11.105 0.142 1.00 0.26 N ATOM 1592 CA ILE A 422 -9.177 11.371 0.533 1.00 0.24 C ATOM 1593 C ILE A 422 -8.587 12.502 -0.301 1.00 0.29 C ATOM 1594 O ILE A 422 -7.800 13.306 0.194 1.00 0.32 O ATOM 1595 CB ILE A 422 -8.282 10.133 0.368 1.00 0.19 C ATOM 1596 CG1 ILE A 422 -8.988 8.891 0.912 1.00 0.18 C ATOM 1597 CG2 ILE A 422 -6.957 10.361 1.090 1.00 0.24 C ATOM 1598 CD1 ILE A 422 -8.415 7.590 0.398 1.00 0.18 C ATOM 0 H ILE A 422 -10.681 10.269 -0.430 1.00 0.26 H new ATOM 0 HA ILE A 422 -9.204 11.652 1.586 1.00 0.24 H new ATOM 0 HB ILE A 422 -8.083 9.972 -0.691 1.00 0.19 H new ATOM 0 HG12 ILE A 422 -8.929 8.898 2.000 1.00 0.18 H new ATOM 0 HG13 ILE A 422 -10.045 8.941 0.650 1.00 0.18 H new ATOM 0 HG21 ILE A 422 -6.323 9.482 0.973 1.00 0.24 H new ATOM 0 HG22 ILE A 422 -6.456 11.230 0.664 1.00 0.24 H new ATOM 0 HG23 ILE A 422 -7.145 10.534 2.150 1.00 0.24 H new ATOM 0 HD11 ILE A 422 -8.967 6.754 0.828 1.00 0.18 H new ATOM 0 HD12 ILE A 422 -8.498 7.560 -0.688 1.00 0.18 H new ATOM 0 HD13 ILE A 422 -7.366 7.517 0.683 1.00 0.18 H new ATOM 1610 N MET A 423 -8.959 12.541 -1.577 1.00 0.36 N ATOM 1611 CA MET A 423 -8.536 13.597 -2.484 1.00 0.46 C ATOM 1612 C MET A 423 -8.994 14.961 -1.989 1.00 0.55 C ATOM 1613 O MET A 423 -8.409 15.985 -2.334 1.00 0.71 O ATOM 1614 CB MET A 423 -9.092 13.318 -3.876 1.00 0.56 C ATOM 1615 CG MET A 423 -8.510 12.066 -4.504 1.00 0.59 C ATOM 1616 SD MET A 423 -9.491 11.443 -5.882 1.00 0.83 S ATOM 1617 CE MET A 423 -9.814 12.951 -6.787 1.00 1.83 C ATOM 0 H MET A 423 -9.562 11.841 -2.009 1.00 0.36 H new ATOM 0 HA MET A 423 -7.447 13.611 -2.525 1.00 0.46 H new ATOM 0 HB2 MET A 423 -10.176 13.218 -3.816 1.00 0.56 H new ATOM 0 HB3 MET A 423 -8.886 14.172 -4.522 1.00 0.56 H new ATOM 0 HG2 MET A 423 -7.499 12.278 -4.852 1.00 0.59 H new ATOM 0 HG3 MET A 423 -8.429 11.289 -3.743 1.00 0.59 H new ATOM 0 HE1 MET A 423 -10.190 12.706 -7.780 1.00 1.83 H new ATOM 0 HE2 MET A 423 -10.558 13.543 -6.254 1.00 1.83 H new ATOM 0 HE3 MET A 423 -8.892 13.525 -6.879 1.00 1.83 H new ATOM 1627 N SER A 424 -10.033 14.962 -1.168 1.00 0.60 N ATOM 1628 CA SER A 424 -10.537 16.182 -0.564 1.00 0.72 C ATOM 1629 C SER A 424 -9.832 16.440 0.770 1.00 0.74 C ATOM 1630 O SER A 424 -10.186 17.365 1.507 1.00 0.94 O ATOM 1631 CB SER A 424 -12.052 16.067 -0.363 1.00 1.07 C ATOM 1632 OG SER A 424 -12.617 17.297 0.063 1.00 1.70 O ATOM 0 H SER A 424 -10.547 14.121 -0.904 1.00 0.60 H new ATOM 0 HA SER A 424 -10.333 17.024 -1.225 1.00 0.72 H new ATOM 0 HB2 SER A 424 -12.521 15.754 -1.296 1.00 1.07 H new ATOM 0 HB3 SER A 424 -12.264 15.293 0.375 1.00 1.07 H new ATOM 0 HG SER A 424 -11.961 17.790 0.598 1.00 1.70 H new ATOM 1638 N GLY A 425 -8.823 15.627 1.068 1.00 0.81 N ATOM 1639 CA GLY A 425 -8.138 15.729 2.337 1.00 1.23 C ATOM 1640 C GLY A 425 -6.626 15.656 2.212 1.00 0.79 C ATOM 1641 O GLY A 425 -6.000 16.533 1.615 1.00 1.10 O ATOM 0 H GLY A 425 -8.469 14.898 0.449 1.00 0.81 H new ATOM 0 HA2 GLY A 425 -8.411 16.670 2.815 1.00 1.23 H new ATOM 0 HA3 GLY A 425 -8.480 14.928 2.992 1.00 1.23 H new ATOM 1645 N ARG A 426 -6.040 14.588 2.746 1.00 0.59 N ATOM 1646 CA ARG A 426 -4.595 14.529 2.946 1.00 0.47 C ATOM 1647 C ARG A 426 -3.874 13.690 1.908 1.00 0.40 C ATOM 1648 O ARG A 426 -3.036 12.861 2.258 1.00 0.47 O ATOM 1649 CB ARG A 426 -4.272 13.965 4.324 1.00 0.94 C ATOM 1650 CG ARG A 426 -4.915 14.713 5.459 1.00 1.03 C ATOM 1651 CD ARG A 426 -4.638 16.209 5.373 1.00 1.41 C ATOM 1652 NE ARG A 426 -3.247 16.508 5.004 1.00 1.79 N ATOM 1653 CZ ARG A 426 -2.250 16.673 5.875 1.00 2.26 C ATOM 1654 NH1 ARG A 426 -2.453 16.478 7.175 1.00 2.43 N ATOM 1655 NH2 ARG A 426 -1.044 17.022 5.432 1.00 2.85 N ATOM 0 H ARG A 426 -6.542 13.753 3.048 1.00 0.59 H new ATOM 0 HA ARG A 426 -4.243 15.556 2.849 1.00 0.47 H new ATOM 0 HB2 ARG A 426 -4.591 12.923 4.362 1.00 0.94 H new ATOM 0 HB3 ARG A 426 -3.191 13.973 4.464 1.00 0.94 H new ATOM 0 HG2 ARG A 426 -5.991 14.540 5.446 1.00 1.03 H new ATOM 0 HG3 ARG A 426 -4.542 14.327 6.408 1.00 1.03 H new ATOM 0 HD2 ARG A 426 -5.308 16.657 4.640 1.00 1.41 H new ATOM 0 HD3 ARG A 426 -4.862 16.672 6.334 1.00 1.41 H new ATOM 0 HE ARG A 426 -3.028 16.596 4.012 1.00 1.79 H new ATOM 0 HH11 ARG A 426 -3.375 16.201 7.511 1.00 2.43 H new ATOM 0 HH12 ARG A 426 -1.686 16.606 7.836 1.00 2.43 H new ATOM 0 HH21 ARG A 426 -0.888 17.161 4.434 1.00 2.85 H new ATOM 0 HH22 ARG A 426 -0.276 17.150 6.091 1.00 2.85 H new ATOM 1669 N THR A 427 -4.168 13.899 0.645 1.00 0.36 N ATOM 1670 CA THR A 427 -3.412 13.232 -0.399 1.00 0.33 C ATOM 1671 C THR A 427 -2.038 13.880 -0.558 1.00 0.37 C ATOM 1672 O THR A 427 -1.128 13.296 -1.136 1.00 0.38 O ATOM 1673 CB THR A 427 -4.152 13.266 -1.743 1.00 0.35 C ATOM 1674 OG1 THR A 427 -4.605 14.599 -2.014 1.00 0.48 O ATOM 1675 CG2 THR A 427 -5.330 12.311 -1.743 1.00 0.33 C ATOM 0 H THR A 427 -4.912 14.514 0.316 1.00 0.36 H new ATOM 0 HA THR A 427 -3.293 12.191 -0.100 1.00 0.33 H new ATOM 0 HB THR A 427 -3.459 12.951 -2.523 1.00 0.35 H new ATOM 0 HG1 THR A 427 -5.075 14.616 -2.874 1.00 0.48 H new ATOM 0 HG21 THR A 427 -5.835 12.356 -2.708 1.00 0.33 H new ATOM 0 HG22 THR A 427 -4.975 11.296 -1.567 1.00 0.33 H new ATOM 0 HG23 THR A 427 -6.027 12.594 -0.955 1.00 0.33 H new ATOM 1683 N ASP A 428 -1.898 15.080 0.000 1.00 0.45 N ATOM 1684 CA ASP A 428 -0.681 15.878 -0.128 1.00 0.54 C ATOM 1685 C ASP A 428 0.517 15.175 0.502 1.00 0.55 C ATOM 1686 O ASP A 428 1.559 15.010 -0.137 1.00 0.59 O ATOM 1687 CB ASP A 428 -0.893 17.260 0.515 1.00 0.67 C ATOM 1688 CG ASP A 428 -1.238 17.188 1.997 1.00 1.23 C ATOM 1689 OD1 ASP A 428 -2.285 16.604 2.342 1.00 1.53 O ATOM 1690 OD2 ASP A 428 -0.474 17.733 2.824 1.00 1.76 O ATOM 0 H ASP A 428 -2.627 15.528 0.555 1.00 0.45 H new ATOM 0 HA ASP A 428 -0.467 16.004 -1.189 1.00 0.54 H new ATOM 0 HB2 ASP A 428 0.012 17.855 0.388 1.00 0.67 H new ATOM 0 HB3 ASP A 428 -1.693 17.780 -0.012 1.00 0.67 H new ATOM 1695 N ARG A 429 0.350 14.744 1.739 1.00 0.54 N ATOM 1696 CA ARG A 429 1.401 14.043 2.462 1.00 0.58 C ATOM 1697 C ARG A 429 1.631 12.666 1.865 1.00 0.45 C ATOM 1698 O ARG A 429 2.733 12.147 1.902 1.00 0.46 O ATOM 1699 CB ARG A 429 1.033 13.929 3.944 1.00 0.72 C ATOM 1700 CG ARG A 429 1.939 12.998 4.736 1.00 0.88 C ATOM 1701 CD ARG A 429 1.580 13.000 6.211 1.00 1.22 C ATOM 1702 NE ARG A 429 2.275 11.948 6.955 1.00 1.86 N ATOM 1703 CZ ARG A 429 3.316 12.165 7.759 1.00 2.48 C ATOM 1704 NH1 ARG A 429 3.862 13.373 7.844 1.00 2.68 N ATOM 1705 NH2 ARG A 429 3.829 11.168 8.468 1.00 3.43 N ATOM 0 H ARG A 429 -0.512 14.868 2.270 1.00 0.54 H new ATOM 0 HA ARG A 429 2.326 14.613 2.373 1.00 0.58 H new ATOM 0 HB2 ARG A 429 1.067 14.921 4.394 1.00 0.72 H new ATOM 0 HB3 ARG A 429 0.005 13.576 4.027 1.00 0.72 H new ATOM 0 HG2 ARG A 429 1.857 11.985 4.341 1.00 0.88 H new ATOM 0 HG3 ARG A 429 2.977 13.306 4.612 1.00 0.88 H new ATOM 0 HD2 ARG A 429 1.828 13.970 6.641 1.00 1.22 H new ATOM 0 HD3 ARG A 429 0.504 12.868 6.321 1.00 1.22 H new ATOM 0 HE ARG A 429 1.942 10.989 6.852 1.00 1.86 H new ATOM 0 HH11 ARG A 429 3.485 14.143 7.292 1.00 2.68 H new ATOM 0 HH12 ARG A 429 4.658 13.530 8.462 1.00 2.68 H new ATOM 0 HH21 ARG A 429 3.427 10.233 8.399 1.00 3.43 H new ATOM 0 HH22 ARG A 429 4.626 11.336 9.083 1.00 3.43 H new ATOM 1719 N LEU A 430 0.590 12.094 1.291 1.00 0.38 N ATOM 1720 CA LEU A 430 0.664 10.762 0.731 1.00 0.32 C ATOM 1721 C LEU A 430 1.424 10.773 -0.583 1.00 0.30 C ATOM 1722 O LEU A 430 2.305 9.944 -0.808 1.00 0.33 O ATOM 1723 CB LEU A 430 -0.739 10.228 0.528 1.00 0.31 C ATOM 1724 CG LEU A 430 -1.583 10.194 1.793 1.00 0.42 C ATOM 1725 CD1 LEU A 430 -2.989 9.729 1.466 1.00 0.70 C ATOM 1726 CD2 LEU A 430 -0.937 9.290 2.834 1.00 0.61 C ATOM 0 H LEU A 430 -0.324 12.537 1.201 1.00 0.38 H new ATOM 0 HA LEU A 430 1.202 10.113 1.422 1.00 0.32 H new ATOM 0 HB2 LEU A 430 -1.245 10.842 -0.217 1.00 0.31 H new ATOM 0 HB3 LEU A 430 -0.676 9.219 0.120 1.00 0.31 H new ATOM 0 HG LEU A 430 -1.643 11.200 2.209 1.00 0.42 H new ATOM 0 HD11 LEU A 430 -3.586 9.708 2.377 1.00 0.70 H new ATOM 0 HD12 LEU A 430 -3.442 10.416 0.751 1.00 0.70 H new ATOM 0 HD13 LEU A 430 -2.950 8.729 1.034 1.00 0.70 H new ATOM 0 HD21 LEU A 430 -1.551 9.275 3.734 1.00 0.61 H new ATOM 0 HD22 LEU A 430 -0.852 8.279 2.436 1.00 0.61 H new ATOM 0 HD23 LEU A 430 0.056 9.668 3.079 1.00 0.61 H new ATOM 1738 N GLU A 431 1.082 11.732 -1.439 1.00 0.31 N ATOM 1739 CA GLU A 431 1.790 11.933 -2.694 1.00 0.35 C ATOM 1740 C GLU A 431 3.266 12.195 -2.427 1.00 0.39 C ATOM 1741 O GLU A 431 4.137 11.809 -3.207 1.00 0.44 O ATOM 1742 CB GLU A 431 1.182 13.098 -3.467 1.00 0.39 C ATOM 1743 CG GLU A 431 -0.155 12.768 -4.098 1.00 0.50 C ATOM 1744 CD GLU A 431 -0.722 13.920 -4.898 1.00 1.35 C ATOM 1745 OE1 GLU A 431 -0.144 14.245 -5.960 1.00 1.54 O ATOM 1746 OE2 GLU A 431 -1.750 14.497 -4.487 1.00 2.30 O ATOM 0 H GLU A 431 0.314 12.384 -1.282 1.00 0.31 H new ATOM 0 HA GLU A 431 1.695 11.029 -3.295 1.00 0.35 H new ATOM 0 HB2 GLU A 431 1.058 13.946 -2.794 1.00 0.39 H new ATOM 0 HB3 GLU A 431 1.877 13.409 -4.247 1.00 0.39 H new ATOM 0 HG2 GLU A 431 -0.041 11.900 -4.748 1.00 0.50 H new ATOM 0 HG3 GLU A 431 -0.862 12.490 -3.317 1.00 0.50 H new ATOM 1753 N HIS A 432 3.527 12.846 -1.304 1.00 0.39 N ATOM 1754 CA HIS A 432 4.881 13.156 -0.885 1.00 0.45 C ATOM 1755 C HIS A 432 5.539 11.933 -0.250 1.00 0.44 C ATOM 1756 O HIS A 432 6.725 11.673 -0.454 1.00 0.52 O ATOM 1757 CB HIS A 432 4.849 14.308 0.124 1.00 0.50 C ATOM 1758 CG HIS A 432 6.182 14.951 0.345 1.00 0.55 C ATOM 1759 ND1 HIS A 432 6.702 15.905 -0.499 1.00 0.87 N ATOM 1760 CD2 HIS A 432 7.103 14.770 1.315 1.00 0.70 C ATOM 1761 CE1 HIS A 432 7.885 16.281 -0.059 1.00 0.91 C ATOM 1762 NE2 HIS A 432 8.155 15.607 1.041 1.00 0.77 N ATOM 0 H HIS A 432 2.807 13.173 -0.660 1.00 0.39 H new ATOM 0 HA HIS A 432 5.463 13.448 -1.759 1.00 0.45 H new ATOM 0 HB2 HIS A 432 4.144 15.064 -0.223 1.00 0.50 H new ATOM 0 HB3 HIS A 432 4.473 13.935 1.077 1.00 0.50 H new ATOM 0 HD2 HIS A 432 7.026 14.092 2.152 1.00 0.70 H new ATOM 0 HE1 HIS A 432 8.526 17.017 -0.521 1.00 0.91 H new ATOM 0 HE2 HIS A 432 9.006 15.693 1.597 1.00 0.77 H new ATOM 1771 N LEU A 433 4.750 11.191 0.517 1.00 0.39 N ATOM 1772 CA LEU A 433 5.242 10.060 1.283 1.00 0.40 C ATOM 1773 C LEU A 433 5.679 8.922 0.388 1.00 0.36 C ATOM 1774 O LEU A 433 6.705 8.322 0.644 1.00 0.35 O ATOM 1775 CB LEU A 433 4.168 9.566 2.253 1.00 0.53 C ATOM 1776 CG LEU A 433 4.696 8.905 3.530 1.00 0.43 C ATOM 1777 CD1 LEU A 433 5.285 7.538 3.240 1.00 0.91 C ATOM 1778 CD2 LEU A 433 5.745 9.787 4.178 1.00 0.73 C ATOM 0 H LEU A 433 3.750 11.359 0.624 1.00 0.39 H new ATOM 0 HA LEU A 433 6.112 10.403 1.844 1.00 0.40 H new ATOM 0 HB2 LEU A 433 3.539 10.411 2.534 1.00 0.53 H new ATOM 0 HB3 LEU A 433 3.530 8.853 1.731 1.00 0.53 H new ATOM 0 HG LEU A 433 3.856 8.777 4.212 1.00 0.43 H new ATOM 0 HD11 LEU A 433 5.651 7.095 4.167 1.00 0.91 H new ATOM 0 HD12 LEU A 433 4.518 6.895 2.809 1.00 0.91 H new ATOM 0 HD13 LEU A 433 6.111 7.640 2.536 1.00 0.91 H new ATOM 0 HD21 LEU A 433 6.114 9.308 5.085 1.00 0.73 H new ATOM 0 HD22 LEU A 433 6.573 9.937 3.485 1.00 0.73 H new ATOM 0 HD23 LEU A 433 5.304 10.751 4.431 1.00 0.73 H new ATOM 1790 N GLU A 434 4.907 8.628 -0.650 1.00 0.40 N ATOM 1791 CA GLU A 434 5.203 7.480 -1.509 1.00 0.45 C ATOM 1792 C GLU A 434 6.657 7.439 -1.940 1.00 0.45 C ATOM 1793 O GLU A 434 7.319 6.428 -1.773 1.00 0.56 O ATOM 1794 CB GLU A 434 4.291 7.431 -2.716 1.00 0.66 C ATOM 1795 CG GLU A 434 2.909 6.925 -2.375 1.00 0.80 C ATOM 1796 CD GLU A 434 2.062 6.722 -3.603 1.00 1.20 C ATOM 1797 OE1 GLU A 434 1.827 7.703 -4.334 1.00 1.75 O ATOM 1798 OE2 GLU A 434 1.602 5.587 -3.823 1.00 1.47 O ATOM 0 H GLU A 434 4.079 9.160 -0.919 1.00 0.40 H new ATOM 0 HA GLU A 434 5.015 6.593 -0.904 1.00 0.45 H new ATOM 0 HB2 GLU A 434 4.213 8.428 -3.149 1.00 0.66 H new ATOM 0 HB3 GLU A 434 4.733 6.787 -3.476 1.00 0.66 H new ATOM 0 HG2 GLU A 434 2.992 5.983 -1.832 1.00 0.80 H new ATOM 0 HG3 GLU A 434 2.418 7.634 -1.709 1.00 0.80 H new ATOM 1805 N SER A 435 7.168 8.540 -2.443 1.00 0.46 N ATOM 1806 CA SER A 435 8.553 8.607 -2.833 1.00 0.53 C ATOM 1807 C SER A 435 9.470 8.330 -1.651 1.00 0.50 C ATOM 1808 O SER A 435 10.517 7.699 -1.777 1.00 0.58 O ATOM 1809 CB SER A 435 8.830 9.983 -3.358 1.00 0.62 C ATOM 1810 OG SER A 435 8.453 10.113 -4.718 1.00 1.01 O ATOM 0 H SER A 435 6.642 9.401 -2.591 1.00 0.46 H new ATOM 0 HA SER A 435 8.743 7.852 -3.596 1.00 0.53 H new ATOM 0 HB2 SER A 435 8.289 10.716 -2.759 1.00 0.62 H new ATOM 0 HB3 SER A 435 9.892 10.206 -3.252 1.00 0.62 H new ATOM 0 HG SER A 435 8.647 11.023 -5.026 1.00 1.01 H new ATOM 1816 N GLN A 436 9.037 8.805 -0.504 1.00 0.43 N ATOM 1817 CA GLN A 436 9.821 8.737 0.720 1.00 0.48 C ATOM 1818 C GLN A 436 9.817 7.336 1.316 1.00 0.45 C ATOM 1819 O GLN A 436 10.843 6.866 1.782 1.00 0.51 O ATOM 1820 CB GLN A 436 9.303 9.746 1.743 1.00 0.52 C ATOM 1821 CG GLN A 436 9.517 11.191 1.327 1.00 0.77 C ATOM 1822 CD GLN A 436 9.190 12.174 2.434 1.00 0.77 C ATOM 1823 OE1 GLN A 436 9.785 13.245 2.519 1.00 1.27 O ATOM 1824 NE2 GLN A 436 8.246 11.822 3.291 1.00 1.38 N ATOM 0 H GLN A 436 8.128 9.252 -0.388 1.00 0.43 H new ATOM 0 HA GLN A 436 10.851 8.986 0.463 1.00 0.48 H new ATOM 0 HB2 GLN A 436 8.238 9.576 1.903 1.00 0.52 H new ATOM 0 HB3 GLN A 436 9.801 9.573 2.697 1.00 0.52 H new ATOM 0 HG2 GLN A 436 10.554 11.327 1.021 1.00 0.77 H new ATOM 0 HG3 GLN A 436 8.897 11.410 0.458 1.00 0.77 H new ATOM 0 HE21 GLN A 436 7.773 10.924 3.189 1.00 1.38 H new ATOM 0 HE22 GLN A 436 7.991 12.449 4.054 1.00 1.38 H new ATOM 1833 N VAL A 437 8.660 6.681 1.305 1.00 0.38 N ATOM 1834 CA VAL A 437 8.542 5.320 1.825 1.00 0.38 C ATOM 1835 C VAL A 437 9.264 4.336 0.915 1.00 0.42 C ATOM 1836 O VAL A 437 9.883 3.379 1.378 1.00 0.49 O ATOM 1837 CB VAL A 437 7.063 4.893 2.011 1.00 0.33 C ATOM 1838 CG1 VAL A 437 6.220 5.272 0.808 1.00 0.31 C ATOM 1839 CG2 VAL A 437 6.962 3.401 2.265 1.00 0.38 C ATOM 0 H VAL A 437 7.790 7.070 0.942 1.00 0.38 H new ATOM 0 HA VAL A 437 9.012 5.309 2.808 1.00 0.38 H new ATOM 0 HB VAL A 437 6.677 5.427 2.879 1.00 0.33 H new ATOM 0 HG11 VAL A 437 5.189 4.958 0.972 1.00 0.31 H new ATOM 0 HG12 VAL A 437 6.252 6.352 0.667 1.00 0.31 H new ATOM 0 HG13 VAL A 437 6.612 4.778 -0.081 1.00 0.31 H new ATOM 0 HG21 VAL A 437 5.916 3.124 2.393 1.00 0.38 H new ATOM 0 HG22 VAL A 437 7.380 2.858 1.417 1.00 0.38 H new ATOM 0 HG23 VAL A 437 7.517 3.147 3.168 1.00 0.38 H new ATOM 1849 N LEU A 438 9.209 4.599 -0.378 1.00 0.41 N ATOM 1850 CA LEU A 438 9.929 3.797 -1.352 1.00 0.48 C ATOM 1851 C LEU A 438 11.428 4.026 -1.197 1.00 0.55 C ATOM 1852 O LEU A 438 12.252 3.222 -1.639 1.00 0.62 O ATOM 1853 CB LEU A 438 9.459 4.166 -2.760 1.00 0.48 C ATOM 1854 CG LEU A 438 7.950 4.029 -2.973 1.00 0.47 C ATOM 1855 CD1 LEU A 438 7.549 4.479 -4.366 1.00 0.51 C ATOM 1856 CD2 LEU A 438 7.488 2.605 -2.706 1.00 0.54 C ATOM 0 H LEU A 438 8.670 5.366 -0.780 1.00 0.41 H new ATOM 0 HA LEU A 438 9.727 2.739 -1.186 1.00 0.48 H new ATOM 0 HB2 LEU A 438 9.753 5.194 -2.971 1.00 0.48 H new ATOM 0 HB3 LEU A 438 9.975 3.532 -3.481 1.00 0.48 H new ATOM 0 HG LEU A 438 7.453 4.683 -2.256 1.00 0.47 H new ATOM 0 HD11 LEU A 438 6.471 4.370 -4.487 1.00 0.51 H new ATOM 0 HD12 LEU A 438 7.826 5.524 -4.505 1.00 0.51 H new ATOM 0 HD13 LEU A 438 8.061 3.867 -5.108 1.00 0.51 H new ATOM 0 HD21 LEU A 438 6.412 2.536 -2.865 1.00 0.54 H new ATOM 0 HD22 LEU A 438 8.000 1.923 -3.385 1.00 0.54 H new ATOM 0 HD23 LEU A 438 7.721 2.334 -1.676 1.00 0.54 H new